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

C9H13ClN2O2 — CID 106388094

IUPAC2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)Cl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10/h4,6-7H,1-3H3,(H,12,13)
InChIKeyCZBIRSUEPFPVJD-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.79
Rot. Bonds3

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

2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (PubChem CID 106388094) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
PubChem CID106388094
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)Cl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10/h4,6-7H,1-3H3,(H,12,13)
InChIKeyCZBIRSUEPFPVJD-UHFFFAOYSA-N
XLogP1.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388098
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-phenylpropanamide
CID 106388389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (CID 106388094) is 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is Cc1cnc(C(C)NC(=O)C(C)Cl)o1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The InChIKey is CZBIRSUEPFPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10/h4,6-7H,1-3H3,(H,12,13).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide has a molecular weight of 216.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 106388094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).