N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide

C13H21N3O3 — CID 63871479

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
SMILESNC1CCC(OCCCNC(=O)c2ccon2)CC1
InChIInChI=1S/C13H21N3O3/c14-10-2-4-11(5-3-10)18-8-1-7-15-13(17)12-6-9-19-16-12/h6,9-11H,1-5,7-8,14H2,(H,15,17)
InChIKeyHGDOVRNPYHGZDD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.08
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide (PubChem CID 63871479) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
PubChem CID63871479
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide
SMILESNC1CCC(OCCCNC(=O)c2ccon2)CC1
InChIInChI=1S/C13H21N3O3/c14-10-2-4-11(5-3-10)18-8-1-7-15-13(17)12-6-9-19-16-12/h6,9-11H,1-5,7-8,14H2,(H,15,17)
InChIKeyHGDOVRNPYHGZDD-UHFFFAOYSA-N
XLogP1.08
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide (CID 63871479) is N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide is NC1CCC(OCCCNC(=O)c2ccon2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HGDOVRNPYHGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-10-2-4-11(5-3-10)18-8-1-7-15-13(17)12-6-9-19-16-12/h6,9-11H,1-5,7-8,14H2,(H,15,17).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).