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

C16H28N4O3 — CID 5160527

IUPAC2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCCN2CCOCC2)co1
InChIInChI=1S/C16H28N4O3/c1-2-3-5-13(17)16-19-14(12-23-16)15(21)18-6-4-7-20-8-10-22-11-9-20/h12-13H,2-11,17H2,1H3,(H,18,21)
InChIKeyCVWPUWNFSWXXQT-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.32
Rot. Bonds9

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

2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 5160527) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID5160527
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCCN2CCOCC2)co1
InChIInChI=1S/C16H28N4O3/c1-2-3-5-13(17)16-19-14(12-23-16)15(21)18-6-4-7-20-8-10-22-11-9-20/h12-13H,2-11,17H2,1H3,(H,18,21)
InChIKeyCVWPUWNFSWXXQT-UHFFFAOYSA-N
XLogP1.32
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 3829164
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
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-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
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-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 71688945
diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
CID 3692953

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide (CID 5160527) is 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCCCN2CCOCC2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CVWPUWNFSWXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-2-3-5-13(17)16-19-14(12-23-16)15(21)18-6-4-7-20-8-10-22-11-9-20/h12-13H,2-11,17H2,1H3,(H,18,21).
What are the key properties of 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5160527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).