N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide

C13H14F2N4O2 — CID 134792740

IUPACN-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C13H14F2N4O2/c14-10(15)7-17-12(20)8-3-2-6-19(8)13-18-11-9(21-13)4-1-5-16-11/h1,4-5,8,10H,2-3,6-7H2,(H,17,20)
InChIKeyDTUKGFIOFCPGQG-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.57
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 134792740) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
PubChem CID134792740
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCN1c1nc2ncccc2o1
InChIInChI=1S/C13H14F2N4O2/c14-10(15)7-17-12(20)8-3-2-6-19(8)13-18-11-9(21-13)4-1-5-16-11/h1,4-5,8,10H,2-3,6-7H2,(H,17,20)
InChIKeyDTUKGFIOFCPGQG-UHFFFAOYSA-N
XLogP1.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Oxazolo[4,5-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11311114
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 11596607
1-((1,3)Oxazolo(4,5-b)pyridin-2-yl)pentan-1-one
CID 22486203
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565869
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 66796791
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)oxazolo[4,5-b]pyridine hydrochloride
CID 66796921
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
CID 66797369
(1,3)Oxazolo(4,5-b)pyridin-2-amine
CID 12730674
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((oxazolo(4,5-b)pyridin-2-ylmethyl)amino)-
CID 454390
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1H-benzimidazol-2-one
CID 44325154
3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-1,3a,4,5,6,7,8,8a-octahydrocyclohepta[d]imidazol-2-one
CID 44325188

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (CID 134792740) is N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is O=C(NCC(F)F)C1CCCN1c1nc2ncccc2o1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is DTUKGFIOFCPGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c14-10(15)7-17-12(20)8-3-2-6-19(8)13-18-11-9(21-13)4-1-5-16-11/h1,4-5,8,10H,2-3,6-7H2,(H,17,20).
What are the key properties of N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134792740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).