(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H22N2O2 — CID 10591937

IUPAC(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@H]1ON=C(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-22(4-2)20(23)19-17(15-11-7-5-8-12-15)18(21-24-19)16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3/t17-,19-/m0/s1
InChIKeyPSBDHIURXKMPNY-HKUYNNGSSA-N
MW322.41 g/mol
LogP3.44
Rot. Bonds5

About (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 10591937) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID10591937
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@H]1ON=C(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-22(4-2)20(23)19-17(15-11-7-5-8-12-15)18(21-24-19)16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3/t17-,19-/m0/s1
InChIKeyPSBDHIURXKMPNY-HKUYNNGSSA-N
XLogP3.44
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 100963160
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 101230152
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
N,N-diethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 67500961
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
CID 56601477
ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
CID 42790278
(3aS,6S,6aR)-6-hydroxy-3-phenyl-3a,5,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-4-one
CID 6711601

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 10591937) is (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)[C@H]1ON=C(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PSBDHIURXKMPNY-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-22(4-2)20(23)19-17(15-11-7-5-8-12-15)18(21-24-19)16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10591937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).