5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide

C15H20N2O4 — CID 166811805

IUPAC5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(COCC2=CCCC=C2)on1
InChIInChI=1S/C15H20N2O4/c18-8-4-7-16-15(19)14-9-13(21-17-14)11-20-10-12-5-2-1-3-6-12/h2,5-6,9,18H,1,3-4,7-8,10-11H2,(H,16,19)
InChIKeyGVRBROBDDAURQK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.58
Rot. Bonds8

About 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide

5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 166811805) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID166811805
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(COCC2=CCCC=C2)on1
InChIInChI=1S/C15H20N2O4/c18-8-4-7-16-15(19)14-9-13(21-17-14)11-20-10-12-5-2-1-3-6-12/h2,5-6,9,18H,1,3-4,7-8,10-11H2,(H,16,19)
InChIKeyGVRBROBDDAURQK-UHFFFAOYSA-N
XLogP1.58
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide (CID 166811805) is 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCO)c1cc(COCC2=CCCC=C2)on1.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GVRBROBDDAURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-8-4-7-16-15(19)14-9-13(21-17-14)11-20-10-12-5-2-1-3-6-12/h2,5-6,9,18H,1,3-4,7-8,10-11H2,(H,16,19).
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166811805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).