(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O2 — CID 100963160

IUPAC(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(2)18(21)17-15(13-9-5-3-6-10-13)16(19-22-17)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17-/m1/s1
InChIKeyVTLYBZYAVOVPNQ-NVXWUHKLSA-N
MW294.35 g/mol
LogP2.66
Rot. Bonds3

About (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 100963160) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID100963160
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(2)18(21)17-15(13-9-5-3-6-10-13)16(19-22-17)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17-/m1/s1
InChIKeyVTLYBZYAVOVPNQ-NVXWUHKLSA-N
XLogP2.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 100963160) is (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C)C(=O)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VTLYBZYAVOVPNQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(2)18(21)17-15(13-9-5-3-6-10-13)16(19-22-17)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3/t15-,17-/m1/s1.
What are the key properties of (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).