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

C14H25N3O2 — CID 5160787

IUPAC2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(C(N)CCCC)n1
InChIInChI=1S/C14H25N3O2/c1-3-5-7-9-16-13(18)12-10-19-14(17-12)11(15)8-6-4-2/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyDEELYEKCEMDLSB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds9

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

2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide (PubChem CID 5160787) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
PubChem CID5160787
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1coc(C(N)CCCC)n1
InChIInChI=1S/C14H25N3O2/c1-3-5-7-9-16-13(18)12-10-19-14(17-12)11(15)8-6-4-2/h10-11H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyDEELYEKCEMDLSB-UHFFFAOYSA-N
XLogP2.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
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
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
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-pentyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide (CID 5160787) is 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide is CCCCCNC(=O)c1coc(C(N)CCCC)n1.
What is the InChIKey of 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide?
The InChIKey is DEELYEKCEMDLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-7-9-16-13(18)12-10-19-14(17-12)11(15)8-6-4-2/h10-11H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5160787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).