N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H19FN4O2 — CID 118740474

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)c2c(C3CCNC3)noc2n1
InChIInChI=1S/C19H19FN4O2/c1-11-8-15(18(25)22-9-12-2-4-14(20)5-3-12)16-17(13-6-7-21-10-13)24-26-19(16)23-11/h2-5,8,13,21H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyFKJSUBIRZCNMKT-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.68
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118740474) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID118740474
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)c2c(C3CCNC3)noc2n1
InChIInChI=1S/C19H19FN4O2/c1-11-8-15(18(25)22-9-12-2-4-14(20)5-3-12)16-17(13-6-7-21-10-13)24-26-19(16)23-11/h2-5,8,13,21H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyFKJSUBIRZCNMKT-UHFFFAOYSA-N
XLogP2.68
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 118740474) is N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(F)cc2)c2c(C3CCNC3)noc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FKJSUBIRZCNMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-8-15(18(25)22-9-12-2-4-14(20)5-3-12)16-17(13-6-7-21-10-13)24-26-19(16)23-11/h2-5,8,13,21H,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118740474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).