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

C10H12N2O — CID 59323758

IUPAC(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H12N2O/c1-7-4-2-3-5-8(7)9-6-13-10(11)12-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyBWXAYUSVBSUOTI-SECBINFHSA-N
MW176.22 g/mol
LogP1.38
Rot. Bonds1

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

(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323758) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323758
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1[C@H]1COC(N)=N1
InChIInChI=1S/C10H12N2O/c1-7-4-2-3-5-8(7)9-6-13-10(11)12-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyBWXAYUSVBSUOTI-SECBINFHSA-N
XLogP1.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323758) is (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccccc1[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BWXAYUSVBSUOTI-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-4-2-3-5-8(7)9-6-13-10(11)12-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m1/s1.
What are the key properties of (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).