N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C17H16N2O3S — CID 42370403

IUPACN-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCSc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3S/c1-23-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)22-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLKJFSJYZZGESKR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 42370403) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID42370403
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCSc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3S/c1-23-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)22-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLKJFSJYZZGESKR-UHFFFAOYSA-N
XLogP3.35
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3868557
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 38682339
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55947553
(4-acetamidophenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27845460

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 42370403) is N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CSc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is LKJFSJYZZGESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-23-13-8-6-12(7-9-13)18-16(20)10-11-19-14-4-2-3-5-15(14)22-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 42370403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).