(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole

C17H15Cl2NO — CID 102113523

IUPAC(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
SMILESCC[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H15Cl2NO/c1-2-17(13-5-9-15(19)10-6-13)11-16(20-21-17)12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3/t17-/m0/s1
InChIKeyYPZIMDPPNKUZAR-KRWDZBQOSA-N
MW320.22 g/mol
LogP5.42
Rot. Bonds3

About (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole

(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole (PubChem CID 102113523) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
PubChem CID102113523
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
SMILESCC[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H15Cl2NO/c1-2-17(13-5-9-15(19)10-6-13)11-16(20-21-17)12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3/t17-/m0/s1
InChIKeyYPZIMDPPNKUZAR-KRWDZBQOSA-N
XLogP5.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 68864607
(3,5-diphenyl-4H-1,2-oxazol-5-yl)methanol
CID 14688929
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 173086518
[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene
CID 15564650
3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole
CID 10594654
(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668255
(1'R,5'S)-3-(4-chlorophenyl)-6',6'-dimethylspiro[4H-1,2-oxazole-5,2'-bicyclo[3.1.1]heptane]
CID 139217638
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
5-(3-bromophenyl)-3-(4-chlorophenyl)-5-ethyl-1,4,2-dioxazole
CID 25269298
5-(4-chlorophenyl)-2-ethyl-3,4-dihydropyrrole-2-carboxylic acid
CID 67463348

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole?
The IUPAC name of (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole (CID 102113523) is (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole.
What is the SMILES notation for (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole?
The canonical SMILES for (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole is CC[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole?
The InChIKey is YPZIMDPPNKUZAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-17(13-5-9-15(19)10-6-13)11-16(20-21-17)12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole?
(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole has a molecular weight of 320.22 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole is sourced from PubChem (CID 102113523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).