2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide

C13H21N3O2 — CID 3865431

IUPAC2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NC2CCCCC2)co1
InChIInChI=1S/C13H21N3O2/c1-2-10(14)13-16-11(8-18-13)12(17)15-9-6-4-3-5-7-9/h8-10H,2-7,14H2,1H3,(H,15,17)
InChIKeyJMGUDQBSMITQNW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide (PubChem CID 3865431) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide
PubChem CID3865431
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NC2CCCCC2)co1
InChIInChI=1S/C13H21N3O2/c1-2-10(14)13-16-11(8-18-13)12(17)15-9-6-4-3-5-7-9/h8-10H,2-7,14H2,1H3,(H,15,17)
InChIKeyJMGUDQBSMITQNW-UHFFFAOYSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide (CID 3865431) is 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NC2CCCCC2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide?
The InChIKey is JMGUDQBSMITQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-10(14)13-16-11(8-18-13)12(17)15-9-6-4-3-5-7-9/h8-10H,2-7,14H2,1H3,(H,15,17).
What are the key properties of 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3865431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).