(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine

C10H12N2O — CID 54333224

IUPAC(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C10H12N2O/c11-10-12-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)/t9-/m0/s1
InChIKeySZUHCSMQSXJMOW-VIFPVBQESA-N
MW176.22 g/mol
LogP0.94
Rot. Bonds2

About (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 54333224) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID54333224
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C10H12N2O/c11-10-12-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)/t9-/m0/s1
InChIKeySZUHCSMQSXJMOW-VIFPVBQESA-N
XLogP0.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine (CID 54333224) is (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SZUHCSMQSXJMOW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c11-10-12-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)/t9-/m0/s1.
What are the key properties of (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 54333224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).