4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine

C20H19ClN2O4S — CID 51664429

IUPAC4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@@H]1CCCO1
InChIInChI=1S/C20H19ClN2O4S/c21-15-10-8-14(9-11-15)18-23-20(28(24,25)17-6-2-1-3-7-17)19(27-18)22-13-16-5-4-12-26-16/h1-3,6-11,16,22H,4-5,12-13H2/t16-/m0/s1
InChIKeyVFVYKYJYPMVIBR-INIZCTEOSA-N
MW418.90 g/mol
LogP4.42
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine (PubChem CID 51664429) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
PubChem CID51664429
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@@H]1CCCO1
InChIInChI=1S/C20H19ClN2O4S/c21-15-10-8-14(9-11-15)18-23-20(28(24,25)17-6-2-1-3-7-17)19(27-18)22-13-16-5-4-12-26-16/h1-3,6-11,16,22H,4-5,12-13H2/t16-/m0/s1
InChIKeyVFVYKYJYPMVIBR-INIZCTEOSA-N
XLogP4.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2347862
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824850
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18827051
2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 42587637
N'-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-(4-chlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 171336747
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
2-(4-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2920810
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2148054
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 6914906
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 16649902
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41239088
2-[[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2068269

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine (CID 51664429) is 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@@H]1CCCO1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
The InChIKey is VFVYKYJYPMVIBR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c21-15-10-8-14(9-11-15)18-23-20(28(24,25)17-6-2-1-3-7-17)19(27-18)22-13-16-5-4-12-26-16/h1-3,6-11,16,22H,4-5,12-13H2/t16-/m0/s1.
What are the key properties of 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine has a molecular weight of 418.90 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 51664429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).