1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one

C15H15ClN4O2 — CID 126835472

IUPAC1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one
SMILESCC(C)c1nc(Cn2ccn(-c3ccccc3Cl)c2=O)no1
InChIInChI=1S/C15H15ClN4O2/c1-10(2)14-17-13(18-22-14)9-19-7-8-20(15(19)21)12-6-4-3-5-11(12)16/h3-8,10H,9H2,1-2H3
InChIKeyKSGIJROLHJOCHX-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one

1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one (PubChem CID 126835472) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one
PubChem CID126835472
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one
SMILESCC(C)c1nc(Cn2ccn(-c3ccccc3Cl)c2=O)no1
InChIInChI=1S/C15H15ClN4O2/c1-10(2)14-17-13(18-22-14)9-19-7-8-20(15(19)21)12-6-4-3-5-11(12)16/h3-8,10H,9H2,1-2H3
InChIKeyKSGIJROLHJOCHX-UHFFFAOYSA-N
XLogP2.85
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one
CID 100712200
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
CID 62223686
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66408642
1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 95306822
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773462
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906
1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine
CID 166217513
7-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 31529868
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 66155280
N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 86829417

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one (CID 126835472) is 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one is CC(C)c1nc(Cn2ccn(-c3ccccc3Cl)c2=O)no1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one?
The InChIKey is KSGIJROLHJOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-10(2)14-17-13(18-22-14)9-19-7-8-20(15(19)21)12-6-4-3-5-11(12)16/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one?
1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one has a molecular weight of 318.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one is sourced from PubChem (CID 126835472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).