4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one

C12H13ClN2O3 — CID 118920377

IUPAC4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2cc(C3(C)CC3)on2)C1O
InChIInChI=1S/C12H13ClN2O3/c1-6-9(13)11(17)15(10(6)16)8-5-7(18-14-8)12(2)3-4-12/h5,10,16H,3-4H2,1-2H3
InChIKeyDVNZJENDOYVFAR-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.90
Rot. Bonds2

About 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one

4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (PubChem CID 118920377) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
PubChem CID118920377
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2cc(C3(C)CC3)on2)C1O
InChIInChI=1S/C12H13ClN2O3/c1-6-9(13)11(17)15(10(6)16)8-5-7(18-14-8)12(2)3-4-12/h5,10,16H,3-4H2,1-2H3
InChIKeyDVNZJENDOYVFAR-UHFFFAOYSA-N
XLogP1.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one 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

4-chloro-2-hydroxy-3-methyl-1-[5-(1-phenylethyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
CID 118920379
4-chloro-2-hydroxy-3-methyl-1-[5-(2-methylhexan-2-yl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one
CID 118920390
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 118920372
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2,2-dimethylpropylamino)-2-hydroxy-2H-pyrrol-5-one
CID 118927492
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-(2-cyclopropylethyl)-2-hydroxy-2H-pyrrol-5-one
CID 148800177
4-chloro-2-hydroxy-3-methyl-1-(1-methyl-1,2,4-triazol-3-yl)-2H-pyrrol-5-one
CID 135151122
[1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-methyl-5-oxo-2H-pyrrol-2-yl] acetate
CID 118920421
[1-(5-tert-butyl-1,2-oxazol-3-yl)-4-chloro-3-methyl-5-oxo-2H-pyrrol-2-yl] phenyl carbonate
CID 118920429
1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 13069714
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
CID 71150223
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloro-2-hydroxy-4-methoxy-2H-pyrrol-5-one;[1-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloro-4-methoxy-5-oxo-2H-pyrrol-2-yl] acetate
CID 159101543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The IUPAC name of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one (CID 118920377) is 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The canonical SMILES for 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is CC1=C(Cl)C(=O)N(c2cc(C3(C)CC3)on2)C1O.
What is the InChIKey of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
The InChIKey is DVNZJENDOYVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-6-9(13)11(17)15(10(6)16)8-5-7(18-14-8)12(2)3-4-12/h5,10,16H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one?
4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one has a molecular weight of 268.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-methyl-1-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 118920377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).