2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile

C15H11N3OS — CID 2742487

IUPAC2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1onc(-c2ccccc2)c1-c1csc(CC#N)n1
InChIInChI=1S/C15H11N3OS/c1-10-14(12-9-20-13(17-12)7-8-16)15(18-19-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3
InChIKeyULSMJXVTOYPUOH-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.84
Rot. Bonds3

About 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 2742487) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID2742487
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1onc(-c2ccccc2)c1-c1csc(CC#N)n1
InChIInChI=1S/C15H11N3OS/c1-10-14(12-9-20-13(17-12)7-8-16)15(18-19-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3
InChIKeyULSMJXVTOYPUOH-UHFFFAOYSA-N
XLogP3.84
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 1471881
5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
CID 1479634
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 2747347
N-butyl-4-[4-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 76319699
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2726221
(E)-2-methyl-N'-((5-methyl-3-phenylisoxazole-4-carbonyl)oxy)thiazole-4-carboximidamide
CID 5923082
4-[4-(5-Methyl-3-phenyl-4-isoxazolyl)-2-thiazolyl]-piperidine
CID 51064026
3-Phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745504
4-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745593
3-Methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
CID 2745855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile (CID 2742487) is 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile is Cc1onc(-c2ccccc2)c1-c1csc(CC#N)n1.
What is the InChIKey of 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is ULSMJXVTOYPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-10-14(12-9-20-13(17-12)7-8-16)15(18-19-10)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3.
What are the key properties of 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 2742487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).