(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

C21H20FN3O3 — CID 58270737

IUPAC(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H20FN3O3/c1-14-18(7-4-10-23-14)28-21(26)25-11-8-15(9-12-25)20-24-13-19(27-20)16-5-2-3-6-17(16)22/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyQFAGAQJWKGQMPQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.56
Rot. Bonds3

About (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (PubChem CID 58270737) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
PubChem CID58270737
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H20FN3O3/c1-14-18(7-4-10-23-14)28-21(26)25-11-8-15(9-12-25)20-24-13-19(27-20)16-5-2-3-6-17(16)22/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyQFAGAQJWKGQMPQ-UHFFFAOYSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

OL-135
CID 10427006
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
(S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-pyrrol-1-yl-propionic acid
CID 9866595
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (CID 58270737) is (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is Cc1ncccc1OC(=O)N1CCC(c2ncc(-c3ccccc3F)o2)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The InChIKey is QFAGAQJWKGQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-18(7-4-10-23-14)28-21(26)25-11-8-15(9-12-25)20-24-13-19(27-20)16-5-2-3-6-17(16)22/h2-7,10,13,15H,8-9,11-12H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).