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

C16H18N2O4S — CID 94087908

IUPAC(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O4S/c1-11(16(19)17-13-7-8-13)23(20,21)10-14-9-15(18-22-14)12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyINGNDACPKJPQBS-LLVKDONJSA-N
MW334.40 g/mol
LogP1.92
Rot. Bonds6

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

(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide (PubChem CID 94087908) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
PubChem CID94087908
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O4S/c1-11(16(19)17-13-7-8-13)23(20,21)10-14-9-15(18-22-14)12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyINGNDACPKJPQBS-LLVKDONJSA-N
XLogP1.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-prop-2-enylbenzamide
CID 24249184
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-3-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 57325857
N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
CID 66558021
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1,2-oxazol-5-yl)butanamide
CID 66559115
N-cyclopropyl-4-[[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]amino]methyl]benzamide
CID 24679182
(S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)isoxazole-5-carboxamide
CID 46882173
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
5-methyl-3-phenyl-N-[5-[[(2R)-2-sulfanylpropanoyl]amino]pentyl]-1,2-oxazole-4-carboxamide
CID 71527724
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide
CID 24684627
N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 24818356
N-cyclopropylsulfonyl-3-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 46948199

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide (CID 94087908) is (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide is C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The InChIKey is INGNDACPKJPQBS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11(16(19)17-13-7-8-13)23(20,21)10-14-9-15(18-22-14)12-5-3-2-4-6-12/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 94087908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).