3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C10H18N2O2 — CID 102388732

IUPAC3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCC1=NOC(C(=O)N(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-4-5-6-8-7-9(14-11-8)10(13)12(2)3/h9H,4-7H2,1-3H3
InChIKeyAWHJAMQEVNJWOC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.41
Rot. Bonds4

About 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 102388732) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID102388732
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCC1=NOC(C(=O)N(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-4-5-6-8-7-9(14-11-8)10(13)12(2)3/h9H,4-7H2,1-3H3
InChIKeyAWHJAMQEVNJWOC-UHFFFAOYSA-N
XLogP1.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-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 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 102388732) is 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCCC1=NOC(C(=O)N(C)C)C1.
What is the InChIKey of 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AWHJAMQEVNJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-6-8-7-9(14-11-8)10(13)12(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,N-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 102388732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).