5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole

C15H17BrN2O — CID 175122889

IUPAC5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cn2)c1CC1CCCC1
InChIInChI=1S/C15H17BrN2O/c1-10-13(8-11-4-2-3-5-11)15(19-18-10)14-7-6-12(16)9-17-14/h6-7,9,11H,2-5,8H2,1H3
InChIKeyXZXRGKXLKCYNHL-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.54
Rot. Bonds3

About 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole

5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole (PubChem CID 175122889) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole
PubChem CID175122889
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cn2)c1CC1CCCC1
InChIInChI=1S/C15H17BrN2O/c1-10-13(8-11-4-2-3-5-11)15(19-18-10)14-7-6-12(16)9-17-14/h6-7,9,11H,2-5,8H2,1H3
InChIKeyXZXRGKXLKCYNHL-UHFFFAOYSA-N
XLogP4.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
2-(1,2-Oxazol-5-yl)pyridine
CID 54432181
5-(4,5-Dibromo-1-methylpyrrol-2-yl)-3-phenyl-1,2-oxazole
CID 72198617
13-Methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
CID 155806803
Pyridine, 2-(5-phenyl-3-isoxazolyl)-
CID 11447383
2-(3-Phenyl-5-isoxazolyl)pyridine
CID 12848040
5-Bromo-3-(pyridin-2-yl)-2,1-benzoxazole
CID 21828157
3-(5-Heptyl-1,2-oxazol-3-yl)pyridine
CID 91710254
4-Bromo-2-[5-(2-pyridyl)isoxazol-3-yl]phenol
CID 135429334
4-Bromo-2-[5-(3-methyl-2-pyridyl)isoxazol-3-yl]phenol
CID 135429335
2-(3,4-Dimethyl-1,2-oxazol-5-yl)-3,5-dimethylpyridine
CID 12513330
4-(5-Butyl-1,2-oxazol-3-yl)pyridine
CID 91710001

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole (CID 175122889) is 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole is Cc1noc(-c2ccc(Br)cn2)c1CC1CCCC1.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole?
The InChIKey is XZXRGKXLKCYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-13(8-11-4-2-3-5-11)15(19-18-10)14-7-6-12(16)9-17-14/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole?
5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole has a molecular weight of 321.22 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-4-(cyclopentylmethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 175122889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).