N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide

C17H22N2O3S — CID 97240474

IUPACN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)NC[C@H](C)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3S/c1-5-23(21)15-9-7-6-8-14(15)17(20)18-10-11(2)16-12(3)19-22-13(16)4/h6-9,11H,5,10H2,1-4H3,(H,18,20)/t11-,23-/m0/s1
InChIKeyWBMUMJUHVZVZAK-RULNZOCKSA-N
MW334.44 g/mol
LogP2.95
Rot. Bonds6

About N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide

N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide (PubChem CID 97240474) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
PubChem CID97240474
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
SMILESCC[S@](=O)c1ccccc1C(=O)NC[C@H](C)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3S/c1-5-23(21)15-9-7-6-8-14(15)17(20)18-10-11(2)16-12(3)19-22-13(16)4/h6-9,11H,5,10H2,1-4H3,(H,18,20)/t11-,23-/m0/s1
InChIKeyWBMUMJUHVZVZAK-RULNZOCKSA-N
XLogP2.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
CID 126768778
2-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-oxopropyl]benzoic acid
CID 120552321
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 154865826
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126774947
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 146121769
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927
2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120993315
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide (CID 97240474) is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide is CC[S@](=O)c1ccccc1C(=O)NC[C@H](C)c1c(C)noc1C.
What is the InChIKey of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide?
The InChIKey is WBMUMJUHVZVZAK-RULNZOCKSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-23(21)15-9-7-6-8-14(15)17(20)18-10-11(2)16-12(3)19-22-13(16)4/h6-9,11H,5,10H2,1-4H3,(H,18,20)/t11-,23-/m0/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide?
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide has a molecular weight of 334.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide is sourced from PubChem (CID 97240474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).