3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C13H15N3O2 — CID 115627788

IUPAC3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H15N3O2/c1-3-4-5-6-14-12(17)10-7-11-9(2)16-18-13(11)15-8-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)/b4-3+
InChIKeyNYZVUPLHMVUWHM-ONEGZZNKSA-N
MW245.28 g/mol
LogP2.23
Rot. Bonds4

About 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 115627788) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID115627788
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H15N3O2/c1-3-4-5-6-14-12(17)10-7-11-9(2)16-18-13(11)15-8-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)/b4-3+
InChIKeyNYZVUPLHMVUWHM-ONEGZZNKSA-N
XLogP2.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119446105
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 64927116
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 115627788) is 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is C/C=C/CCNC(=O)c1cnc2onc(C)c2c1.
What is the InChIKey of 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is NYZVUPLHMVUWHM-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-4-5-6-14-12(17)10-7-11-9(2)16-18-13(11)15-8-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)/b4-3+.
What are the key properties of 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 115627788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).