4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

C23H19ClN2O3S — CID 18825331

IUPAC4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c1-16(17-8-4-2-5-9-17)25-22-23(26-21(29-22)18-10-6-3-7-11-18)30(27,28)20-14-12-19(24)13-15-20/h2-16,25H,1H3
InChIKeyYNAKNXXQKKBPBG-UHFFFAOYSA-N
MW438.94 g/mol
LogP6.00
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 18825331) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
PubChem CID18825331
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
SMILESCC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c1-16(17-8-4-2-5-9-17)25-22-23(26-21(29-22)18-10-6-3-7-11-18)30(27,28)20-14-12-19(24)13-15-20/h2-16,25H,1H3
InChIKeyYNAKNXXQKKBPBG-UHFFFAOYSA-N
XLogP6.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 2964757
4-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18827175
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 18827074
4-(benzenesulfonyl)-N-butan-2-yl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 3446936
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
N'-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-chlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 171336747
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
5-[(2S)-butan-2-yl]sulfanyl-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2157014
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[(1R)-1-phenylethyl]-1,3-thiazol-5-amine
CID 40870153
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
CID 16649583

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine (CID 18825331) is 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is CC(Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is YNAKNXXQKKBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-16(17-8-4-2-5-9-17)25-22-23(26-21(29-22)18-10-6-3-7-11-18)30(27,28)20-14-12-19(24)13-15-20/h2-16,25H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 438.94 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).