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

C13H14ClNO — CID 126625276

IUPAC3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
SMILESCc1onc(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C13H14ClNO/c1-8(2)12-9(3)16-15-13(12)10-5-4-6-11(14)7-10/h4-8H,1-3H3
InChIKeyHTPYHZXGRZCEOC-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.43
Rot. Bonds2

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

3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole (PubChem CID 126625276) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
PubChem CID126625276
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
SMILESCc1onc(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C13H14ClNO/c1-8(2)12-9(3)16-15-13(12)10-5-4-6-11(14)7-10/h4-8H,1-3H3
InChIKeyHTPYHZXGRZCEOC-UHFFFAOYSA-N
XLogP4.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
CID 139270190
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
CID 83850381
4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335617
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole (CID 126625276) is 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole is Cc1onc(-c2cccc(Cl)c2)c1C(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole?
The InChIKey is HTPYHZXGRZCEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8(2)12-9(3)16-15-13(12)10-5-4-6-11(14)7-10/h4-8H,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole?
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole has a molecular weight of 235.71 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 126625276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).