(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide

C16H20N2O4S — CID 94002916

IUPAC(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)no2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)9-17-16(19)13(3)23(20,21)10-15-8-12(2)18-22-15/h4-8,13H,9-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyQYMGBCGMLVZSMT-CYBMUJFWSA-N
MW336.41 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide

(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 94002916) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID94002916
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)no2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)9-17-16(19)13(3)23(20,21)10-15-8-12(2)18-22-15/h4-8,13H,9-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyQYMGBCGMLVZSMT-CYBMUJFWSA-N
XLogP1.91
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 86989471
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 55596611
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 49082852
(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
CID 94172378
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 42962647
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39991942
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91780894
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 132664793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide (CID 94002916) is (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)no2)cc1.
What is the InChIKey of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is QYMGBCGMLVZSMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)9-17-16(19)13(3)23(20,21)10-15-8-12(2)18-22-15/h4-8,13H,9-10H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide?
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 336.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 94002916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).