N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine

C19H20N2O3S — CID 126794852

IUPACN-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine
SMILESCC(CS(=O)(=O)c1ccccc1)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C19H20N2O3S/c1-13(12-25(22,23)16-5-3-2-4-6-16)20-15-9-10-17-18(11-15)24-19(21-17)14-7-8-14/h2-6,9-11,13-14,20H,7-8,12H2,1H3
InChIKeyCGAGSEFLBLWURU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine

N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine (PubChem CID 126794852) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine
PubChem CID126794852
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine
SMILESCC(CS(=O)(=O)c1ccccc1)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C19H20N2O3S/c1-13(12-25(22,23)16-5-3-2-4-6-16)20-15-9-10-17-18(11-15)24-19(21-17)14-7-8-14/h2-6,9-11,13-14,20H,7-8,12H2,1H3
InChIKeyCGAGSEFLBLWURU-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine (CID 126794852) is N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine is CC(CS(=O)(=O)c1ccccc1)Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine?
The InChIKey is CGAGSEFLBLWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(12-25(22,23)16-5-3-2-4-6-16)20-15-9-10-17-18(11-15)24-19(21-17)14-7-8-14/h2-6,9-11,13-14,20H,7-8,12H2,1H3.
What are the key properties of N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine?
N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine has a molecular weight of 356.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 126794852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).