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

C20H21N3O3 — CID 131902671

IUPAC2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccccc2OCCCc2ccccc2)co1
InChIInChI=1S/C20H21N3O3/c21-13-19-22-17(14-26-19)20(24)23-16-10-4-5-11-18(16)25-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,14H,6,9,12-13,21H2,(H,23,24)
InChIKeyPZDFBDOOIYOGII-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.40
Rot. Bonds8

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

2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 131902671) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID131902671
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccccc2OCCCc2ccccc2)co1
InChIInChI=1S/C20H21N3O3/c21-13-19-22-17(14-26-19)20(24)23-16-10-4-5-11-18(16)25-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,14H,6,9,12-13,21H2,(H,23,24)
InChIKeyPZDFBDOOIYOGII-UHFFFAOYSA-N
XLogP3.40
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide 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

6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 131896292
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide (CID 131902671) is 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide is NCc1nc(C(=O)Nc2ccccc2OCCCc2ccccc2)co1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PZDFBDOOIYOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-13-19-22-17(14-26-19)20(24)23-16-10-4-5-11-18(16)25-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,14H,6,9,12-13,21H2,(H,23,24).
What are the key properties of 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide?
2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131902671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).