N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide

C8H9ClN2O2 — CID 115636549

IUPACN-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C)on1
InChIInChI=1S/C8H9ClN2O2/c1-5(9)4-10-8(12)7-3-6(2)13-11-7/h3H,1,4H2,2H3,(H,10,12)
InChIKeyJVSUEEXKHIHLKK-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.47
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 115636549) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID115636549
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC NameN-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1cc(C)on1
InChIInChI=1S/C8H9ClN2O2/c1-5(9)4-10-8(12)7-3-6(2)13-11-7/h3H,1,4H2,2H3,(H,10,12)
InChIKeyJVSUEEXKHIHLKK-UHFFFAOYSA-N
XLogP1.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 56822305
5-methyl-N-[4-[10-[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-oxobutyl]sulfanyldecylsulfanyl]-2-oxobutyl]-1,2-oxazole-3-carboxamide
CID 70402340
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 115636549) is N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide is C=C(Cl)CNC(=O)c1cc(C)on1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JVSUEEXKHIHLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(9)4-10-8(12)7-3-6(2)13-11-7/h3H,1,4H2,2H3,(H,10,12).
What are the key properties of N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 200.62 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 115636549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).