(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide

C17H20N2O4S — CID 51947084

IUPAC(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C17H20N2O4S/c1-11-15(19-17(23-11)13-6-4-3-5-7-13)10-24(21,22)12(2)16(20)18-14-8-9-14/h3-7,12,14H,8-10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyVEFLYRSNDJOBKH-LBPRGKRZSA-N
MW348.42 g/mol
LogP2.23
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide

(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide (PubChem CID 51947084) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
PubChem CID51947084
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C17H20N2O4S/c1-11-15(19-17(23-11)13-6-4-3-5-7-13)10-24(21,22)12(2)16(20)18-14-8-9-14/h3-7,12,14H,8-10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyVEFLYRSNDJOBKH-LBPRGKRZSA-N
XLogP2.23
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32529829
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide
CID 20876720
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-cycloheptyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860697

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide (CID 51947084) is (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide is Cc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is VEFLYRSNDJOBKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-15(19-17(23-11)13-6-4-3-5-7-13)10-24(21,22)12(2)16(20)18-14-8-9-14/h3-7,12,14H,8-10H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide?
(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 51947084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).