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

C16H21N3O3 — CID 3859480

IUPAC2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-13(17)16-19-14(10-22-16)15(20)18-11-6-8-12(21-2)9-7-11/h6-10,13H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyWXSJPRIVEGKIBO-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.13
Rot. Bonds7

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

2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3859480) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3859480
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-13(17)16-19-14(10-22-16)15(20)18-11-6-8-12(21-2)9-7-11/h6-10,13H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyWXSJPRIVEGKIBO-UHFFFAOYSA-N
XLogP3.13
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-[[4-(2-hydroxyhexyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051889

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 3859480) is 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WXSJPRIVEGKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-4-5-13(17)16-19-14(10-22-16)15(20)18-11-6-8-12(21-2)9-7-11/h6-10,13H,3-5,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).