(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide

C21H26N2O5S — CID 58860827

IUPAC(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESO=C(Nc1ccon1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C21H26N2O5S/c24-21(22-20-10-13-28-23-20)19(14-15-8-11-27-12-9-15)16-4-6-18(7-5-16)29(25,26)17-2-1-3-17/h4-7,10,13,15,17,19H,1-3,8-9,11-12,14H2,(H,22,23,24)/t19-/m1/s1
InChIKeyWZDVMMXSSQLTNJ-LJQANCHMSA-N
MW418.52 g/mol
LogP3.54
Rot. Bonds7

About (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide

(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 58860827) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID58860827
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESO=C(Nc1ccon1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C21H26N2O5S/c24-21(22-20-10-13-28-23-20)19(14-15-8-11-27-12-9-15)16-4-6-18(7-5-16)29(25,26)17-2-1-3-17/h4-7,10,13,15,17,19H,1-3,8-9,11-12,14H2,(H,22,23,24)/t19-/m1/s1
InChIKeyWZDVMMXSSQLTNJ-LJQANCHMSA-N
XLogP3.54
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
CID 21093931
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid
CID 21093929
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-[4-(2,2-dimethylpropanoyl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 46195122
2-(4-cyclopropylsulfonylphenyl)-N-methoxy-N-methyl-3-(oxan-4-yl)propanamide
CID 59331597
5-(4-cyclopropylsulfonylphenyl)-6-(oxan-4-yl)-1-pyridin-2-ylhexane-1,4-dione
CID 59331378
(2R)-N-[5-(3-acetylphenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanamide
CID 88972975
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 59649354
(2R)-2-(3-chloro-4-cyclopropylsulfonylphenyl)-N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)propanamide
CID 16722628
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318
(2R)-N-(5-cyclopropyl-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]propanamide
CID 67435584
5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide (CID 58860827) is (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide is O=C(Nc1ccon1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1.
What is the InChIKey of (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is WZDVMMXSSQLTNJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O5S/c24-21(22-20-10-13-28-23-20)19(14-15-8-11-27-12-9-15)16-4-6-18(7-5-16)29(25,26)17-2-1-3-17/h4-7,10,13,15,17,19H,1-3,8-9,11-12,14H2,(H,22,23,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide?
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 58860827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).