3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide

C11H17ClN2O2 — CID 106388098

IUPAC3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)(C)CCl)o1
InChIInChI=1S/C11H17ClN2O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,6H2,1-4H3,(H,14,15)
InChIKeyQGOVUHHDCPXIBT-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.43
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide

3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (PubChem CID 106388098) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
PubChem CID106388098
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)(C)CCl)o1
InChIInChI=1S/C11H17ClN2O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,6H2,1-4H3,(H,14,15)
InChIKeyQGOVUHHDCPXIBT-UHFFFAOYSA-N
XLogP2.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 103949036
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (CID 106388098) is 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is Cc1cnc(C(C)NC(=O)C(C)(C)CCl)o1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The InChIKey is QGOVUHHDCPXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,6H2,1-4H3,(H,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide has a molecular weight of 244.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 106388098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).