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

C11H14N2O — CID 59323786

IUPAC(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1C[C@H]1COC(N)=N1
InChIInChI=1S/C11H14N2O/c1-8-4-2-3-5-9(8)6-10-7-14-11(12)13-10/h2-5,10H,6-7H2,1H3,(H2,12,13)/t10-/m0/s1
InChIKeyXRRWFUDKEMNKBF-JTQLQIEISA-N
MW190.25 g/mol
LogP1.25
Rot. Bonds2

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

(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323786) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323786
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1C[C@H]1COC(N)=N1
InChIInChI=1S/C11H14N2O/c1-8-4-2-3-5-9(8)6-10-7-14-11(12)13-10/h2-5,10H,6-7H2,1H3,(H2,12,13)/t10-/m0/s1
InChIKeyXRRWFUDKEMNKBF-JTQLQIEISA-N
XLogP1.25
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
(4S,5R)-4-Methylaminorex
CID 3058692
(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
RO-5263397
CID 56835991
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
4-Methylaminorex, (4S,5S)-
CID 214156
(S)-Rexamino
CID 11116360
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323786) is (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccccc1C[C@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XRRWFUDKEMNKBF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-4-2-3-5-9(8)6-10-7-14-11(12)13-10/h2-5,10H,6-7H2,1H3,(H2,12,13)/t10-/m0/s1.
What are the key properties of (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).