2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine

C21H21ClN2O4S — CID 2347862

IUPAC2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NC[C@H]2CCCO2)cc1
InChIInChI=1S/C21H21ClN2O4S/c1-14-4-10-18(11-5-14)29(25,26)21-20(23-13-17-3-2-12-27-17)28-19(24-21)15-6-8-16(22)9-7-15/h4-11,17,23H,2-3,12-13H2,1H3/t17-/m1/s1
InChIKeyPCAILISKJLPQLG-QGZVFWFLSA-N
MW432.93 g/mol
LogP4.73
Rot. Bonds6

About 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine

2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine (PubChem CID 2347862) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
PubChem CID2347862
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC Name2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NC[C@H]2CCCO2)cc1
InChIInChI=1S/C21H21ClN2O4S/c1-14-4-10-18(11-5-14)29(25,26)21-20(23-13-17-3-2-12-27-17)28-19(24-21)15-6-8-16(22)9-7-15/h4-11,17,23H,2-3,12-13H2,1H3/t17-/m1/s1
InChIKeyPCAILISKJLPQLG-QGZVFWFLSA-N
XLogP4.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine 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-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 51664429
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824850
2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 42587637
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18827051
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 16649902
4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 167344308
2-(4-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2920810
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 6914906
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2148054
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41239088

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine (CID 2347862) is 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NC[C@H]2CCCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The InChIKey is PCAILISKJLPQLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c1-14-4-10-18(11-5-14)29(25,26)21-20(23-13-17-3-2-12-27-17)28-19(24-21)15-6-8-16(22)9-7-15/h4-11,17,23H,2-3,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine has a molecular weight of 432.93 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 2347862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).