2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide

C17H15N3O2 — CID 174598172

IUPAC2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESNCc1ccc(-c2nc(C(N)=O)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15N3O2/c18-10-11-6-8-13(9-7-11)17-20-14(16(19)21)15(22-17)12-4-2-1-3-5-12/h1-9H,10,18H2,(H2,19,21)
InChIKeyZKBNAQISLCHKON-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide

2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 174598172) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID174598172
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESNCc1ccc(-c2nc(C(N)=O)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15N3O2/c18-10-11-6-8-13(9-7-11)17-20-14(16(19)21)15(22-17)12-4-2-1-3-5-12/h1-9H,10,18H2,(H2,19,21)
InChIKeyZKBNAQISLCHKON-UHFFFAOYSA-N
XLogP2.57
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 143993495
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520905
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70166519
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
5-benzamido-2-phenyl-1,3-oxazole-4-carboxamide
CID 90949372
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 174598172) is 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide is NCc1ccc(-c2nc(C(N)=O)c(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZKBNAQISLCHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-10-11-6-8-13(9-7-11)17-20-14(16(19)21)15(22-17)12-4-2-1-3-5-12/h1-9H,10,18H2,(H2,19,21).
What are the key properties of 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide?
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174598172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).