2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole

C15H14ClN3OS — CID 80971341

IUPAC2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
SMILESCc1c(Cl)nc(C(C)C)nc1Sc1nc2ccccc2o1
InChIInChI=1S/C15H14ClN3OS/c1-8(2)13-18-12(16)9(3)14(19-13)21-15-17-10-6-4-5-7-11(10)20-15/h4-8H,1-3H3
InChIKeyGEINKRWTDMQUCV-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.85
Rot. Bonds3

About 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole (PubChem CID 80971341) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
PubChem CID80971341
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
SMILESCc1c(Cl)nc(C(C)C)nc1Sc1nc2ccccc2o1
InChIInChI=1S/C15H14ClN3OS/c1-8(2)13-18-12(16)9(3)14(19-13)21-15-17-10-6-4-5-7-11(10)20-15/h4-8H,1-3H3
InChIKeyGEINKRWTDMQUCV-UHFFFAOYSA-N
XLogP4.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 62483848
2-(5-bromo-6-chloropyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 114071815
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011762
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
(1S)-1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-fluorophenyl]ethanol
CID 78951937
3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-ol
CID 79033827
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
CID 55079140
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
2-(1,3-benzoxazol-2-ylsulfanyl)-5-methylbenzonitrile
CID 107930936
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole (CID 80971341) is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole is Cc1c(Cl)nc(C(C)C)nc1Sc1nc2ccccc2o1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
The InChIKey is GEINKRWTDMQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-8(2)13-18-12(16)9(3)14(19-13)21-15-17-10-6-4-5-7-11(10)20-15/h4-8H,1-3H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole?
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole has a molecular weight of 319.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole is sourced from PubChem (CID 80971341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).