cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

Name: cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C102H186N20O5 — CID 158635242

IUPACcumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1.CC(C)c1cnon1.CC(C)c1conn1.CC(C)c1ncncn1.CC(C)c1ncon1

InChIInChI=1S/C9H12.C8H11N.4C7H10N2.C6H9N3.2C6H9NO.3C5H8N2O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-8-7-5;12*1-2/h3-8H,1-2H3;3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3;12*1-2H3

InChIKeyHZRPWKOXJGUCFT-UHFFFAOYSA-N

MW1772.74 g/mol

LogP31.90

Rot. Bonds12

About cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (PubChem CID 158635242) has the molecular formula C102H186N20O5 and a molecular weight of 1772.74 g/mol. Its IUPAC name is cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name	cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
PubChem CID	158635242
Molecular Formula	C102H186N20O5
Molecular Weight	1772.74 g/mol
Exact Mass	1771.49
IUPAC Name	cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
SMILES	CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1.CC(C)c1cnon1.CC(C)c1conn1.CC(C)c1ncncn1.CC(C)c1ncon1
InChI	InChI=1S/C9H12.C8H11N.4C7H10N2.C6H9N3.2C6H9NO.3C5H8N2O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-8-7-5;121-2/h3-8H,1-2H3;3-7H,1-2H3;43-6H,1-2H3;3-5H,1-2H3;23-5H,1-2H3;33-4H,1-2H3;12*1-2H3
InChIKey	HZRPWKOXJGUCFT-UHFFFAOYSA-N
XLogP	31.90
TPSA	323.50 Å²
H-Bond Donors
H-Bond Acceptors	25
Rotatable Bonds	12
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.74
LogP ≤ 5	31.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Analyze cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The IUPAC name of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (CID 158635242) is cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.

What is the SMILES notation for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The canonical SMILES for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnoc1.CC(C)c1cnon1.CC(C)c1conn1.CC(C)c1ncncn1.CC(C)c1ncon1.

What is the InChIKey of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The InChIKey is HZRPWKOXJGUCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N.4C7H10N2.C6H9N3.2C6H9NO.3C5H8N2O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-8-7-5;12*1-2/h3-8H,1-2H3;3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;3*3-4H,1-2H3;12*1-2H3.

What are the key properties of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

Where does this data come from?

All data for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158635242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).