(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

C21H24N2O3 — CID 101128966

IUPAC(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESC=C(C)C(C)(O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(2)21(3,25)19-23(20(24)22-17-12-8-5-9-13-17)18(14-26-19)16-10-6-4-7-11-16/h4-13,18-19,25H,1,14H2,2-3H3,(H,22,24)/t18-,19+,21?/m1/s1
InChIKeyBEHWQFDIEQSEFL-QSJYAPKHSA-N
MW352.43 g/mol
LogP3.95
Rot. Bonds4

About (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 101128966) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
PubChem CID101128966
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESC=C(C)C(C)(O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(2)21(3,25)19-23(20(24)22-17-12-8-5-9-13-17)18(14-26-19)16-10-6-4-7-11-16/h4-13,18-19,25H,1,14H2,2-3H3,(H,22,24)/t18-,19+,21?/m1/s1
InChIKeyBEHWQFDIEQSEFL-QSJYAPKHSA-N
XLogP3.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121224830
N,3-diphenyl-1,2-oxazolidine-2-carboxamide
CID 154595659
tert-butyl (2S,4S)-2-(2-methylprop-1-enyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15548409
[(1S,2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-8-(phenylcarbamoyl)-6-oxa-8-azabicyclo[3.2.1]octan-2-yl] acetate
CID 102319580
ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 28593462
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
CID 4164736
tert-butyl (2S,4S)-2-pent-4-enoyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 101106074
3-oxo-N,2-diphenylpiperidine-1-carboxamide
CID 91530761
2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 134120823

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (CID 101128966) is (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is C=C(C)C(C)(O)[C@@H]1OC[C@H](c2ccccc2)N1C(=O)Nc1ccccc1.
What is the InChIKey of (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is BEHWQFDIEQSEFL-QSJYAPKHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)21(3,25)19-23(20(24)22-17-12-8-5-9-13-17)18(14-26-19)16-10-6-4-7-11-16/h4-13,18-19,25H,1,14H2,2-3H3,(H,22,24)/t18-,19+,21?/m1/s1.
What are the key properties of (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 101128966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).