4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane

C14H22ClNO — CID 142401664

IUPAC4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane
SMILESCC.CC.CC1=NC(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H10ClNO.2C2H6/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;2*1-2/h2-5,10H,6H2,1H3;2*1-2H3
InChIKeySJFCCICZGWFNGL-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.88
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane

4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane (PubChem CID 142401664) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane
PubChem CID142401664
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane
SMILESCC.CC.CC1=NC(c2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H10ClNO.2C2H6/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;2*1-2/h2-5,10H,6H2,1H3;2*1-2H3
InChIKeySJFCCICZGWFNGL-UHFFFAOYSA-N
XLogP4.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 142401536
4-(4-chlorophenyl)-2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533408
4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 71739475
3-[4-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 115062262
(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
CID 158585991
2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672468
(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 135228169
4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853281
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
4-[4-[3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15390334
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane (CID 142401664) is 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane is CC.CC.CC1=NC(c2ccc(Cl)cc2)CO1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane?
The InChIKey is SJFCCICZGWFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.2C2H6/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;2*1-2/h2-5,10H,6H2,1H3;2*1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane?
4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane has a molecular weight of 255.79 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 142401664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).