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

C18H18N2O4 — CID 94605167

IUPAC(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1O
InChIInChI=1S/C18H18N2O4/c1-23-16-8-7-12(9-15(16)21)11-19-18(22)14-10-17(24-20-14)13-5-3-2-4-6-13/h2-9,17,21H,10-11H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKKSQTUZZRGZLJY-QGZVFWFLSA-N
MW326.35 g/mol
LogP2.53
Rot. Bonds5

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

(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 94605167) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID94605167
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1O
InChIInChI=1S/C18H18N2O4/c1-23-16-8-7-12(9-15(16)21)11-19-18(22)14-10-17(24-20-14)13-5-3-2-4-6-13/h2-9,17,21H,10-11H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKKSQTUZZRGZLJY-QGZVFWFLSA-N
XLogP2.53
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4,5-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 71886872
(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94666162
N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-phenylprop-2-ynamide
CID 71914543
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60524951
5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 146086480
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55739706
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167898515

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 94605167) is (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1O.
What is the InChIKey of (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is KKSQTUZZRGZLJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-16-8-7-12(9-15(16)21)11-19-18(22)14-10-17(24-20-14)13-5-3-2-4-6-13/h2-9,17,21H,10-11H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94605167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).