N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H27N3O3 — CID 71563148

IUPACN-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21
InChIInChI=1S/C19H27N3O3/c1-3-4-8-11-22-12-15(17(23)16-13(2)21-25-19(16)22)18(24)20-14-9-6-5-7-10-14/h12,14H,3-11H2,1-2H3,(H,20,24)
InChIKeyBMNUQAZPOQDTNO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.55
Rot. Bonds6

About N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71563148) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71563148
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21
InChIInChI=1S/C19H27N3O3/c1-3-4-8-11-22-12-15(17(23)16-13(2)21-25-19(16)22)18(24)20-14-9-6-5-7-10-14/h12,14H,3-11H2,1-2H3,(H,20,24)
InChIKeyBMNUQAZPOQDTNO-UHFFFAOYSA-N
XLogP3.55
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-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

N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563149
N-(1-adamantyl)-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563150
Ethyl 4-hydroxy-3-methylisoxazolo[5,4-b]pyridine-5-carboxylate
CID 135444872
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-propylpiperidin-4-yl)propanamide
CID 51073428
5-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diazacycloundecan-2-one
CID 110201433
3-ethyl-N-(1-ethylpiperidin-4-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17249820
3-ethyl-5-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 25236797
3-ethyl-5-methyl-N-[(2S)-pentan-2-yl]-1,2-oxazole-4-carboxamide
CID 25755101
N-cyclohexyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 9167551
N-cyclohexyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173813
3-ethyl-5-methyl-N-(pentan-2-yl)-1,2-oxazole-4-carboxamide
CID 17190971
3-ethyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 17191112

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 71563148) is N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21.
What is the InChIKey of N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is BMNUQAZPOQDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-4-8-11-22-12-15(17(23)16-13(2)21-25-19(16)22)18(24)20-14-9-6-5-7-10-14/h12,14H,3-11H2,1-2H3,(H,20,24).
What are the key properties of N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).