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

C17H23N3O2 — CID 3861776

IUPAC2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)co1
InChIInChI=1S/C17H23N3O2/c1-3-5-9-14(18)17-20-15(11-22-17)16(21)19-13-8-6-7-12(4-2)10-13/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,21)
InChIKeyBJTKBZQPNVXBDI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.68
Rot. Bonds7

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

2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3861776) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3861776
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)co1
InChIInChI=1S/C17H23N3O2/c1-3-5-9-14(18)17-20-15(11-22-17)16(21)19-13-8-6-7-12(4-2)10-13/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,21)
InChIKeyBJTKBZQPNVXBDI-UHFFFAOYSA-N
XLogP3.68
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852
2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
CID 18458243
2-(1-amino-2-hydroxyethyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3695546
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide (CID 3861776) is 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BJTKBZQPNVXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-5-9-14(18)17-20-15(11-22-17)16(21)19-13-8-6-7-12(4-2)10-13/h6-8,10-11,14H,3-5,9,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3861776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).