2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide

C17H23N3O3 — CID 3731660

IUPAC2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCOc2ccccc2)co1
InChIInChI=1S/C17H23N3O3/c1-2-3-9-14(18)17-20-15(12-23-17)16(21)19-10-11-22-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11,18H2,1H3,(H,19,21)
InChIKeyQPYPHAWWQXLYKX-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.67
Rot. Bonds9

About 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3731660) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID3731660
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCOc2ccccc2)co1
InChIInChI=1S/C17H23N3O3/c1-2-3-9-14(18)17-20-15(12-23-17)16(21)19-10-11-22-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11,18H2,1H3,(H,19,21)
InChIKeyQPYPHAWWQXLYKX-UHFFFAOYSA-N
XLogP2.67
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-aminopentyl)-N-(2-phenoxyethyl)-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

2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 5160527
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide (CID 3731660) is 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCCOc2ccccc2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QPYPHAWWQXLYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-3-9-14(18)17-20-15(12-23-17)16(21)19-10-11-22-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11,18H2,1H3,(H,19,21).
What are the key properties of 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3731660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).