(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

C20H19N3O3 — CID 16605256

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1cccnc1N1CCCC1
InChIInChI=1S/C20H19N3O3/c24-20(17-9-6-10-21-18(17)23-11-4-5-12-23)26-14-16-13-25-19(22-16)15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2
InChIKeySNZOKCBIAYXADZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.69
Rot. Bonds5

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 16605256) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID16605256
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1cccnc1N1CCCC1
InChIInChI=1S/C20H19N3O3/c24-20(17-9-6-10-21-18(17)23-11-4-5-12-23)26-14-16-13-25-19(22-16)15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2
InChIKeySNZOKCBIAYXADZ-UHFFFAOYSA-N
XLogP3.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
(2-phenyl-1,3-oxazol-4-yl)methyl 3-propan-2-yloxypyridine-2-carboxylate
CID 71859633
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18169739
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 16605256) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCc1coc(-c2ccccc2)n1)c1cccnc1N1CCCC1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is SNZOKCBIAYXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(17-9-6-10-21-18(17)23-11-4-5-12-23)26-14-16-13-25-19(22-16)15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 16605256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).