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

C10H15ClN2O2 — CID 106388092

IUPAC3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)CCl)o1
InChIInChI=1S/C10H15ClN2O2/c1-6(4-11)9(14)13-8(3)10-12-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyRRPSXBACLLDXNW-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.04
Rot. Bonds4

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

3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (PubChem CID 106388092) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
PubChem CID106388092
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)CCl)o1
InChIInChI=1S/C10H15ClN2O2/c1-6(4-11)9(14)13-8(3)10-12-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyRRPSXBACLLDXNW-UHFFFAOYSA-N
XLogP2.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.04
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

2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388098
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
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
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
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 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (CID 106388092) is 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is Cc1cnc(C(C)NC(=O)C(C)CCl)o1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The InChIKey is RRPSXBACLLDXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6(4-11)9(14)13-8(3)10-12-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide has a molecular weight of 230.69 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 106388092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).