4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C18H18N2O3S — CID 153079461

IUPAC4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CC2CC2)c2cccnc2c1
InChIInChI=1S/C18H18N2O3S/c1-11-18(12(2)23-20-11)14-8-16-15(4-3-7-19-16)17(9-14)24(21,22)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyVMZBBSMPZNGPHS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.69
Rot. Bonds4

About 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 153079461) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID153079461
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)CC2CC2)c2cccnc2c1
InChIInChI=1S/C18H18N2O3S/c1-11-18(12(2)23-20-11)14-8-16-15(4-3-7-19-16)17(9-14)24(21,22)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyVMZBBSMPZNGPHS-UHFFFAOYSA-N
XLogP3.69
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole 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

3,5-dimethyl-4-[5-[(2R)-3,3,3-trifluoro-2-methylpropyl]sulfonylquinolin-7-yl]-1,2-oxazole
CID 158990242
4-[2-chloro-5-(cyclopentylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[5-(cyclopentylmethylsulfonyl)-2-cyclopropylquinolin-7-yl]-3,5-dimethyl-1,2-oxazole;cyclopropylboronic acid
CID 159549909
trans-(1R,2R)-N-(2-aminoethyl)-2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-5-yl]sulfonylamino]cyclopentane-1-carboxamide
CID 118094080
7-chloro-5-(cyclopentylmethylsulfonyl)quinoxaline;4-[8-(cyclopentylmethylsulfonyl)quinoxalin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CID 159291371
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide
CID 118094012
trans-(1R,2R)-2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-5-yl]sulfonylamino]-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 118094011
[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
CID 158140170
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
CID 144852412
4-(cyclopentylmethylsulfonyl)-N-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine
CID 146801414
2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
CID 118094028
5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-quinoxalin-1-ium 1-oxide;5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
CID 161119931
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 153079461) is 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(S(=O)(=O)CC2CC2)c2cccnc2c1.
What is the InChIKey of 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VMZBBSMPZNGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-18(12(2)23-20-11)14-8-16-15(4-3-7-19-16)17(9-14)24(21,22)10-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3.
What are the key properties of 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 342.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethylsulfonyl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 153079461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).