N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

C23H25N5O5 — CID 70955339

IUPACN-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESCOCc1ccc(C(=O)Nc2cccnc2)c(NC(=O)c2coc(N3CC[C@H](OC)C3)n2)c1
InChIInChI=1S/C23H25N5O5/c1-31-13-15-5-6-18(21(29)25-16-4-3-8-24-11-16)19(10-15)26-22(30)20-14-33-23(27-20)28-9-7-17(12-28)32-2/h3-6,8,10-11,14,17H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyXBVIIITVGDXEBP-KRWDZBQOSA-N
MW451.48 g/mol
LogP2.95
Rot. Bonds8

About N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 70955339) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID70955339
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESCOCc1ccc(C(=O)Nc2cccnc2)c(NC(=O)c2coc(N3CC[C@H](OC)C3)n2)c1
InChIInChI=1S/C23H25N5O5/c1-31-13-15-5-6-18(21(29)25-16-4-3-8-24-11-16)19(10-15)26-22(30)20-14-33-23(27-20)28-9-7-17(12-28)32-2/h3-6,8,10-11,14,17H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1
InChIKeyXBVIIITVGDXEBP-KRWDZBQOSA-N
XLogP2.95
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (CID 70955339) is N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is COCc1ccc(C(=O)Nc2cccnc2)c(NC(=O)c2coc(N3CC[C@H](OC)C3)n2)c1.
What is the InChIKey of N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is XBVIIITVGDXEBP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-31-13-15-5-6-18(21(29)25-16-4-3-8-24-11-16)19(10-15)26-22(30)20-14-33-23(27-20)28-9-7-17(12-28)32-2/h3-6,8,10-11,14,17H,7,9,12-13H2,1-2H3,(H,25,29)(H,26,30)/t17-/m0/s1.
What are the key properties of N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-2-(pyridin-3-ylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70955339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).