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

C11H14N2O — CID 24966826

IUPAC(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1ccc([C@@]2(C)COC(N)=N2)cc1
InChIInChI=1S/C11H14N2O/c1-8-3-5-9(6-4-8)11(2)7-14-10(12)13-11/h3-6H,7H2,1-2H3,(H2,12,13)/t11-/m1/s1
InChIKeyGJLHTYRFHFXECQ-LLVKDONJSA-N
MW190.25 g/mol
LogP1.56
Rot. Bonds1

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

(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 24966826) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID24966826
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1ccc([C@@]2(C)COC(N)=N2)cc1
InChIInChI=1S/C11H14N2O/c1-8-3-5-9(6-4-8)11(2)7-14-10(12)13-11/h3-6H,7H2,1-2H3,(H2,12,13)/t11-/m1/s1
InChIKeyGJLHTYRFHFXECQ-LLVKDONJSA-N
XLogP1.56
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
RO-5263397
CID 56835991
(S)-Rexamino
CID 11116360
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 24966469
(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
(4S)-4-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323826
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine (CID 24966826) is (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine is Cc1ccc([C@@]2(C)COC(N)=N2)cc1.
What is the InChIKey of (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is GJLHTYRFHFXECQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-5-9(6-4-8)11(2)7-14-10(12)13-11/h3-6H,7H2,1-2H3,(H2,12,13)/t11-/m1/s1.
What are the key properties of (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine?
(4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(4-methylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 24966826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).