(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole

C18H18ClNO — CID 71562327

IUPAC(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCCc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C18H18ClNO/c1-2-13-3-5-14(6-4-13)11-17-12-18(20-21-17)15-7-9-16(19)10-8-15/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyMZEHOLWKLPPFPK-KRWDZBQOSA-N
MW299.80 g/mol
LogP4.64
Rot. Bonds4

About (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole

(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71562327) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID71562327
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCCc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C18H18ClNO/c1-2-13-3-5-14(6-4-13)11-17-12-18(20-21-17)15-7-9-16(19)10-8-15/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyMZEHOLWKLPPFPK-KRWDZBQOSA-N
XLogP4.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 71562327) is (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole is CCc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is MZEHOLWKLPPFPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-2-13-3-5-14(6-4-13)11-17-12-18(20-21-17)15-7-9-16(19)10-8-15/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 299.80 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).