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

C20H29N3O3 — CID 71563149

IUPACN-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21
InChIInChI=1S/C20H29N3O3/c1-3-4-9-12-23-13-16(18(24)17-14(2)22-26-20(17)23)19(25)21-15-10-7-5-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,21,25)
InChIKeyKSNNTOPCPZZHSP-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.94
Rot. Bonds6

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

N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71563149) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71563149
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21
InChIInChI=1S/C20H29N3O3/c1-3-4-9-12-23-13-16(18(24)17-14(2)22-26-20(17)23)19(25)21-15-10-7-5-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,21,25)
InChIKeyKSNNTOPCPZZHSP-UHFFFAOYSA-N
XLogP3.94
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563148
N-(1-adamantyl)-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563150
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
N-cycloheptyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9268638
5-Acetyl-4-hydroxy-3-methylisoxazolo[5,4-b]pyridine
CID 135784039
N-cycloheptyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8623643
N-cycloheptyl-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9268600
7-Ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 14042837
Ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 71561715
3-Methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 71561716
2-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanoylamino]cycloheptane-1-carboxamide
CID 71853785

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 71563149) is N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)noc21.
What is the InChIKey of N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KSNNTOPCPZZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-4-9-12-23-13-16(18(24)17-14(2)22-26-20(17)23)19(25)21-15-10-7-5-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,21,25).
What are the key properties of N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).