(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H14ClNO — CID 139724930

IUPAC(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2ccccc2Cl)=N1
InChIInChI=1S/C12H14ClNO/c1-8(2)11-7-15-12(14-11)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyIYZJCVCHSCEORU-NSHDSACASA-N
MW223.70 g/mol
LogP3.14
Rot. Bonds2

About (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 139724930) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID139724930
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1COC(c2ccccc2Cl)=N1
InChIInChI=1S/C12H14ClNO/c1-8(2)11-7-15-12(14-11)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyIYZJCVCHSCEORU-NSHDSACASA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 139724930) is (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@@H]1COC(c2ccccc2Cl)=N1.
What is the InChIKey of (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is IYZJCVCHSCEORU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8(2)11-7-15-12(14-11)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 223.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139724930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).