N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

C22H18N2O2 — CID 46092588

IUPACN-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)on2)c1
InChIInChI=1S/C22H18N2O2/c1-15-5-4-6-16(11-15)14-23-22(25)20-13-21(26-24-20)19-10-9-17-7-2-3-8-18(17)12-19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWHWFCGNBYPAOEI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.73
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46092588) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46092588
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)on2)c1
InChIInChI=1S/C22H18N2O2/c1-15-5-4-6-16(11-15)14-23-22(25)20-13-21(26-24-20)19-10-9-17-7-2-3-8-18(17)12-19/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWHWFCGNBYPAOEI-UHFFFAOYSA-N
XLogP4.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 46092577
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 46087304
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68738395
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867364
5-(4-methylphenyl)-N-[(4-propanoylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 158316284
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (CID 46092588) is N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is Cc1cccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)on2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WHWFCGNBYPAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-5-4-6-16(11-15)14-23-22(25)20-13-21(26-24-20)19-10-9-17-7-2-3-8-18(17)12-19/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46092588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).