2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

Name: 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C61H97N19O6S2 — CID 165034435

IUPAC2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

SMILESCC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cnnn1

InChIInChI=1S/2C6H10N2.4C6H9NO.C6H9NS.2C5H8N2O.C5H8N2S.C4H8N4/c1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)8-3-5-6-7-8/h2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;4*3-4H,1-2H3

InChIKeyNDVUKQUYLFXMNO-UHFFFAOYSA-N

MW1256.71 g/mol

LogP16.83

Rot. Bonds11

About 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 165034435) has the molecular formula C61H97N19O6S2 and a molecular weight of 1256.71 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name	2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID	165034435
Molecular Formula	C61H97N19O6S2
Molecular Weight	1256.71 g/mol
Exact Mass	1255.73
IUPAC Name	2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILES	CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cnnn1
InChI	InChI=1S/2C6H10N2.4C6H9NO.C6H9NS.2C5H8N2O.C5H8N2S.C4H8N4/c1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)8-3-5-6-7-8/h23-5H,1-2H3,(H,7,8);53-5H,1-2H3;4*3-4H,1-2H3
InChIKey	NDVUKQUYLFXMNO-UHFFFAOYSA-N
XLogP	16.83
TPSA	321.59 Å²
H-Bond Donors	2
H-Bond Acceptors	25
Rotatable Bonds	11
Heavy Atoms	88
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.71
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Analyze 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (CID 165034435) is 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cnnn1.

What is the InChIKey of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?

The InChIKey is NDVUKQUYLFXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.4C6H9NO.C6H9NS.2C5H8N2O.C5H8N2S.C4H8N4/c1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)8-3-5-6-7-8/h2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;4*3-4H,1-2H3.

What are the key properties of 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?

Where does this data come from?

All data for 2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yltetrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 165034435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).