(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole

C11H13NO — CID 125494779

IUPAC(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NC[C@@H](C)O2)cc1
InChIInChI=1S/C11H13NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyQPHDNLOETNUXNT-SECBINFHSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds1

About (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole

(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 125494779) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID125494779
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NC[C@@H](C)O2)cc1
InChIInChI=1S/C11H13NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyQPHDNLOETNUXNT-SECBINFHSA-N
XLogP2.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 86312390
5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
CID 19881966
(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
CID 19372732
2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672465
2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 10464810
(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18734997
1,5-dimethyl-2-(4-methylphenyl)-4,5-dihydroimidazole
CID 70334986
2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 132564223
5-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 15503981
(4R)-2-[3,5-bis[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 101364196
(4S)-2-[3,5-bis[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 102331832

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 125494779) is (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(C2=NC[C@@H](C)O2)cc1.
What is the InChIKey of (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QPHDNLOETNUXNT-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
(5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 125494779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).