4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine

C17H16N2O3S — CID 2219638

IUPAC4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-2-18-16-17(23(20,21)14-11-7-4-8-12-14)19-15(22-16)13-9-5-3-6-10-13/h3-12,18H,2H2,1H3
InChIKeyHDDYIIYFGVDJAR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.61
Rot. Bonds5

About 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 2219638) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID2219638
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-2-18-16-17(23(20,21)14-11-7-4-8-12-14)19-15(22-16)13-9-5-3-6-10-13/h3-12,18H,2H2,1H3
InChIKeyHDDYIIYFGVDJAR-UHFFFAOYSA-N
XLogP3.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-butyl-1,3-oxazol-5-amine
CID 18825792
4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16812296
4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 2964757
4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826076
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18825810
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 2964752
N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 171703895
4-(benzenesulfonyl)-5-ethylsulfanyl-2-phenyl-1,3-oxazole
CID 751371
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
CID 10108934

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine (CID 2219638) is 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine is CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is HDDYIIYFGVDJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-18-16-17(23(20,21)14-11-7-4-8-12-14)19-15(22-16)13-9-5-3-6-10-13/h3-12,18H,2H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 328.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2219638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).