5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H23N5O2 — CID 134127778

IUPAC5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCC2NNC(C(=O)NCc3cc(-c4ccccc4)on3)C2C1
InChIInChI=1S/C18H23N5O2/c1-23-8-7-15-14(11-23)17(21-20-15)18(24)19-10-13-9-16(25-22-13)12-5-3-2-4-6-12/h2-6,9,14-15,17,20-21H,7-8,10-11H2,1H3,(H,19,24)
InChIKeyMCMGCCSYPZECNQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.75
Rot. Bonds4

About 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 134127778) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID134127778
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCC2NNC(C(=O)NCc3cc(-c4ccccc4)on3)C2C1
InChIInChI=1S/C18H23N5O2/c1-23-8-7-15-14(11-23)17(21-20-15)18(24)19-10-13-9-16(25-22-13)12-5-3-2-4-6-12/h2-6,9,14-15,17,20-21H,7-8,10-11H2,1H3,(H,19,24)
InChIKeyMCMGCCSYPZECNQ-UHFFFAOYSA-N
XLogP0.75
TPSA82.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-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

cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
CID 154743624
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
(3S)-1-(3-bromophenyl)-2-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 97082940
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 134127778) is 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN1CCC2NNC(C(=O)NCc3cc(-c4ccccc4)on3)C2C1.
What is the InChIKey of 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MCMGCCSYPZECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-23-8-7-15-14(11-23)17(21-20-15)18(24)19-10-13-9-16(25-22-13)12-5-3-2-4-6-12/h2-6,9,14-15,17,20-21H,7-8,10-11H2,1H3,(H,19,24).
What are the key properties of 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 134127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).