N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C13H15N3O2 — CID 62502313

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2ccon2)cc1
InChIInChI=1S/C13H15N3O2/c14-7-5-10-1-3-11(4-2-10)9-15-13(17)12-6-8-18-16-12/h1-4,6,8H,5,7,9,14H2,(H,15,17)
InChIKeyXCMYUUQZFULREH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.11
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 62502313) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID62502313
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2ccon2)cc1
InChIInChI=1S/C13H15N3O2/c14-7-5-10-1-3-11(4-2-10)9-15-13(17)12-6-8-18-16-12/h1-4,6,8H,5,7,9,14H2,(H,15,17)
InChIKeyXCMYUUQZFULREH-UHFFFAOYSA-N
XLogP1.11
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 76939190
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[[4-(2-aminoethyl)phenyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 62500976
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-benzyl-1,2-oxazole-3-carboxamide;oxazepine
CID 162147126
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 55037800
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 62502313) is N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is NCCc1ccc(CNC(=O)c2ccon2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XCMYUUQZFULREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-5-10-1-3-11(4-2-10)9-15-13(17)12-6-8-18-16-12/h1-4,6,8H,5,7,9,14H2,(H,15,17).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 62502313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).