3-chloro-5-phenyl-4-propyl-1,2-oxazole

C12H12ClNO — CID 91731597

IUPAC3-chloro-5-phenyl-4-propyl-1,2-oxazole
SMILESCCCc1c(Cl)noc1-c1ccccc1
InChIInChI=1S/C12H12ClNO/c1-2-6-10-11(15-14-12(10)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyHDKWXXSOEKFJRD-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.95
Rot. Bonds3

About 3-chloro-5-phenyl-4-propyl-1,2-oxazole

3-chloro-5-phenyl-4-propyl-1,2-oxazole (PubChem CID 91731597) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-5-phenyl-4-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-5-phenyl-4-propyl-1,2-oxazole
PubChem CID91731597
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name3-chloro-5-phenyl-4-propyl-1,2-oxazole
SMILESCCCc1c(Cl)noc1-c1ccccc1
InChIInChI=1S/C12H12ClNO/c1-2-6-10-11(15-14-12(10)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyHDKWXXSOEKFJRD-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
3-chloro-4-iodo-5-phenyl-1,2-oxazole
CID 122223983
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79412634
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
2-benzyl-5-phenyl-3,4-dipropylfuran
CID 102050941
5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 107101289
2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride
CID 19596686
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenyl-4-propyl-1,2-oxazole?
The IUPAC name of 3-chloro-5-phenyl-4-propyl-1,2-oxazole (CID 91731597) is 3-chloro-5-phenyl-4-propyl-1,2-oxazole.
What is the SMILES notation for 3-chloro-5-phenyl-4-propyl-1,2-oxazole?
The canonical SMILES for 3-chloro-5-phenyl-4-propyl-1,2-oxazole is CCCc1c(Cl)noc1-c1ccccc1.
What is the InChIKey of 3-chloro-5-phenyl-4-propyl-1,2-oxazole?
The InChIKey is HDKWXXSOEKFJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-2-6-10-11(15-14-12(10)13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 3-chloro-5-phenyl-4-propyl-1,2-oxazole?
3-chloro-5-phenyl-4-propyl-1,2-oxazole has a molecular weight of 221.69 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenyl-4-propyl-1,2-oxazole is sourced from PubChem (CID 91731597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).