(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

C10H12N2O3S — CID 59323649

IUPAC(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CS(=O)(=O)c2ccccc2)CO1
InChIInChI=1S/C10H12N2O3S/c11-10-12-8(6-15-10)7-16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)/t8-/m1/s1
InChIKeyRXOSJURJXRZUGP-MRVPVSSYSA-N
MW240.28 g/mol
LogP0.17
Rot. Bonds3

About (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323649) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323649
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CS(=O)(=O)c2ccccc2)CO1
InChIInChI=1S/C10H12N2O3S/c11-10-12-8(6-15-10)7-16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)/t8-/m1/s1
InChIKeyRXOSJURJXRZUGP-MRVPVSSYSA-N
XLogP0.17
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323649) is (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CS(=O)(=O)c2ccccc2)CO1.
What is the InChIKey of (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RXOSJURJXRZUGP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c11-10-12-8(6-15-10)7-16(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)/t8-/m1/s1.
What are the key properties of (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 240.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).