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

C11H14N2O2 — CID 24966823

IUPAC(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc([C@H]2COC(N)=N2)cc1C
InChIInChI=1S/C11H14N2O2/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-5,9H,6H2,1-2H3,(H2,12,13)/t9-/m1/s1
InChIKeyRQUDVJFNYVOWKA-SECBINFHSA-N
MW206.24 g/mol
LogP1.39
Rot. Bonds2

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

(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24966823) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24966823
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc([C@H]2COC(N)=N2)cc1C
InChIInChI=1S/C11H14N2O2/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-5,9H,6H2,1-2H3,(H2,12,13)/t9-/m1/s1
InChIKeyRQUDVJFNYVOWKA-SECBINFHSA-N
XLogP1.39
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24966823) is (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc([C@H]2COC(N)=N2)cc1C.
What is the InChIKey of (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RQUDVJFNYVOWKA-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-5-8(3-4-10(7)14-2)9-6-15-11(12)13-9/h3-5,9H,6H2,1-2H3,(H2,12,13)/t9-/m1/s1.
What are the key properties of (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 206.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24966823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).