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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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).