2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine — IUPAC name, SMILES, InChIKey & properties

Name: 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine

2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 159376880) has the molecular formula C78H127N15O6 and a molecular weight of 1370.97 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name	2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
PubChem CID	159376880
Molecular Formula	C78H127N15O6
Molecular Weight	1370.97 g/mol
Exact Mass	1370.01
IUPAC Name	2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILES	CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnn(C)n1.CC(C)c1ncccn1.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)no1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChI	InChI=1S/3C8H11N.2C8H16O.C7H10N2.C7H11NO.C6H11N3.3C6H10N2O/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h33-7H,1-2H3;27-8H,3-6H2,1-2H3;3-6H,1-2H3;24-5H,1-3H3;34H,1-3H3
InChIKey	LKKWEKDAUYAQLW-UHFFFAOYSA-N
XLogP	19.90
TPSA	256.41 Å²
H-Bond Donors
H-Bond Acceptors	21
Rotatable Bonds	11
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.97
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Analyze 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 159376880) is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The canonical SMILES for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine is CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnn(C)n1.CC(C)c1ncccn1.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)no1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.

What is the InChIKey of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The InChIKey is LKKWEKDAUYAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.2C8H16O.C7H10N2.C7H11NO.C6H11N3.3C6H10N2O/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-4-7-9(3)8-6;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3*4H,1-3H3.

What are the key properties of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

Where does this data come from?

All data for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yltriazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 159376880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).