2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

C14H15ClN2O2S — CID 87043322

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CSc2ccccc2Cl)oc1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-10(2)19-14(17-9)7-16-13(18)8-20-12-6-4-3-5-11(12)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyFCNCAGLIOSRQSA-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 87043322) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID87043322
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CSc2ccccc2Cl)oc1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-10(2)19-14(17-9)7-16-13(18)8-20-12-6-4-3-5-11(12)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyFCNCAGLIOSRQSA-UHFFFAOYSA-N
XLogP3.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 86822495
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-(2-chlorophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 5028291
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
CID 87043777
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043579
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86849285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 87043322) is 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1nc(CNC(=O)CSc2ccccc2Cl)oc1C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is FCNCAGLIOSRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-10(2)19-14(17-9)7-16-13(18)8-20-12-6-4-3-5-11(12)15/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 310.81 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 87043322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).