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

C10H12N2O — CID 86312390

IUPAC(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc([C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m0/s1
InChIKeyZEQYKJRCFOFECD-VIFPVBQESA-N
MW176.22 g/mol
LogP1.38
Rot. Bonds1

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

(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 86312390) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID86312390
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc([C@@H]2CN=C(N)O2)cc1
InChIInChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m0/s1
InChIKeyZEQYKJRCFOFECD-VIFPVBQESA-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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Related Compounds

(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 95035037
2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672465
(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18734997
(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 125494779
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 119058040
2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046590
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
[5-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061536
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 103318047
5-(4-methylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509112

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 86312390) is (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccc([C@@H]2CN=C(N)O2)cc1.
What is the InChIKey of (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZEQYKJRCFOFECD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)/t9-/m0/s1.
What are the key properties of (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(5R)-5-(4-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 (5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 86312390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).