N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide

C21H20N2O3 — CID 95177148

IUPACN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(17-9-7-16(8-10-17)19-12-22-14-26-19)23-13-21(25)11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,23,24)/t21-/m0/s1
InChIKeyYQFIWXHBRUGBAQ-NRFANRHFSA-N
MW348.40 g/mol
LogP3.30
Rot. Bonds4

About N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide

N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 95177148) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID95177148
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(17-9-7-16(8-10-17)19-12-22-14-26-19)23-13-21(25)11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,23,24)/t21-/m0/s1
InChIKeyYQFIWXHBRUGBAQ-NRFANRHFSA-N
XLogP3.30
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111596930
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624538
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111110472
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
CID 86939098
4-amino-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-nitrobenzamide
CID 95177190
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide (CID 95177148) is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide is O=C(NC[C@@]1(O)CCCc2ccccc21)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is YQFIWXHBRUGBAQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(17-9-7-16(8-10-17)19-12-22-14-26-19)23-13-21(25)11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,23,24)/t21-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 95177148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).