(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C25H24N2O3 — CID 42457545

IUPAC(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CC(C(c3ccccc3)c3ccccc3)=NO2)c1
InChIInChI=1S/C25H24N2O3/c1-29-21-14-8-9-18(15-21)17-26-25(28)23-16-22(27-30-23)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23-24H,16-17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyGQTCSAPIFXXBHO-HSZRJFAPSA-N
MW400.48 g/mol
LogP4.29
Rot. Bonds7

About (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42457545) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42457545
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CC(C(c3ccccc3)c3ccccc3)=NO2)c1
InChIInChI=1S/C25H24N2O3/c1-29-21-14-8-9-18(15-21)17-26-25(28)23-16-22(27-30-23)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23-24H,16-17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyGQTCSAPIFXXBHO-HSZRJFAPSA-N
XLogP4.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-benzhydryl-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42438989
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 7921022
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45176393
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42457545) is (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(CNC(=O)[C@H]2CC(C(c3ccccc3)c3ccccc3)=NO2)c1.
What is the InChIKey of (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GQTCSAPIFXXBHO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-29-21-14-8-9-18(15-21)17-26-25(28)23-16-22(27-30-23)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23-24H,16-17H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42457545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).