N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide

C19H23N3O4S — CID 50839020

IUPACN-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-18(23)20-19-14(2)21-26-17(19)11-8-15-6-9-16(10-7-15)27(24,25)22-12-4-5-13-22/h6-11H,3-5,12-13H2,1-2H3,(H,20,23)/b11-8-
InChIKeyHWZHADASRRMLEW-FLIBITNWSA-N
MW389.48 g/mol
LogP3.29
Rot. Bonds6

About N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide

N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide (PubChem CID 50839020) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
PubChem CID50839020
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-18(23)20-19-14(2)21-26-17(19)11-8-15-6-9-16(10-7-15)27(24,25)22-12-4-5-13-22/h6-11H,3-5,12-13H2,1-2H3,(H,20,23)/b11-8-
InChIKeyHWZHADASRRMLEW-FLIBITNWSA-N
XLogP3.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
CID 20855663
N~1~-benzyl-N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-methylglycinamide
CID 3242609
N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
CID 20855688
N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
CID 4621417
US9156811, Ddd88190
CID 58561394
N-[5-[2-[4-(cyclopropylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
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N-[3-methyl-5-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]acetamide
CID 72065915
N-[5-[2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
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N-[5-[2-[3-(cyclopropylsulfamoyl)-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 72066073
N-{5-[(1Z)-2-{4-[(2,4-Difluorophenyl)sulfamoyl]phenyl}ethenyl]-3-methyl-1,2-oxazol-4-YL}propanamide
CID 50839145
1-[[1-(Benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
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8-(Benzenesulfonyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide (CID 50839020) is N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide?
The InChIKey is HWZHADASRRMLEW-FLIBITNWSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-18(23)20-19-14(2)21-26-17(19)11-8-15-6-9-16(10-7-15)27(24,25)22-12-4-5-13-22/h6-11H,3-5,12-13H2,1-2H3,(H,20,23)/b11-8-.
What are the key properties of N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide?
N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide has a molecular weight of 389.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50839020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).