4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine

C20H21ClN2O5S — CID 18827102

IUPAC4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
SMILESCOCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5S/c1-26-13-3-12-22-19-20(29(24,25)17-10-6-15(21)7-11-17)23-18(28-19)14-4-8-16(27-2)9-5-14/h4-11,22H,3,12-13H2,1-2H3
InChIKeyHLLJXTFNHHXEOR-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.28
Rot. Bonds9

About 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine (PubChem CID 18827102) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
PubChem CID18827102
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
SMILESCOCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5S/c1-26-13-3-12-22-19-20(29(24,25)17-10-6-15(21)7-11-17)23-18(28-19)14-4-8-16(27-2)9-5-14/h4-11,22H,3,12-13H2,1-2H3
InChIKeyHLLJXTFNHHXEOR-UHFFFAOYSA-N
XLogP4.28
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827103
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 4704826
N-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 4825674
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825407
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine (CID 18827102) is 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine is COCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The InChIKey is HLLJXTFNHHXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-26-13-3-12-22-19-20(29(24,25)17-10-6-15(21)7-11-17)23-18(28-19)14-4-8-16(27-2)9-5-14/h4-11,22H,3,12-13H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine has a molecular weight of 436.92 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18827102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).