2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole

C15H18ClNO — CID 43144307

IUPAC2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
SMILESCC(C)Cc1ccc(-c2cnc(CCCl)o2)cc1
InChIInChI=1S/C15H18ClNO/c1-11(2)9-12-3-5-13(6-4-12)14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPEJVPKAVEPAOKV-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole

2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole (PubChem CID 43144307) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
PubChem CID43144307
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
SMILESCC(C)Cc1ccc(-c2cnc(CCCl)o2)cc1
InChIInChI=1S/C15H18ClNO/c1-11(2)9-12-3-5-13(6-4-12)14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPEJVPKAVEPAOKV-UHFFFAOYSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24627726
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24606784
N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24607191
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propan-1-one
CID 34470903
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24606795
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 24608670
N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24633125

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole (CID 43144307) is 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole is CC(C)Cc1ccc(-c2cnc(CCCl)o2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
The InChIKey is PEJVPKAVEPAOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11(2)9-12-3-5-13(6-4-12)14-10-17-15(18-14)7-8-16/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole?
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole has a molecular weight of 263.77 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 43144307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).