4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine

C19H20N2O3S — CID 10108934

IUPAC4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
SMILESCCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-3-13-20-18-19(25(22,23)15-10-5-4-6-11-15)21-17(24-18)16-12-8-7-9-14(16)2/h4-12,20H,3,13H2,1-2H3
InChIKeyHNZXAONNSZLBER-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.30
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine (PubChem CID 10108934) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
PubChem CID10108934
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
SMILESCCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-3-13-20-18-19(25(22,23)15-10-5-4-6-11-15)21-17(24-18)16-12-8-7-9-14(16)2/h4-12,20H,3,13H2,1-2H3
InChIKeyHNZXAONNSZLBER-UHFFFAOYSA-N
XLogP4.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine (CID 10108934) is 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine is CCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine?
The InChIKey is HNZXAONNSZLBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-13-20-18-19(25(22,23)15-10-5-4-6-11-15)21-17(24-18)16-12-8-7-9-14(16)2/h4-12,20H,3,13H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine has a molecular weight of 356.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine is sourced from PubChem (CID 10108934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).