N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide

C17H23N3O2 — CID 134794727

IUPACN,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(c2nc3ncccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-3-20(4-2)17(21)13-9-7-12(8-10-13)16-19-15-14(22-16)6-5-11-18-15/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyRMLSTILGUMHDAM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.37
Rot. Bonds4

About N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide

N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide (PubChem CID 134794727) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide
PubChem CID134794727
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(c2nc3ncccc3o2)CC1
InChIInChI=1S/C17H23N3O2/c1-3-20(4-2)17(21)13-9-7-12(8-10-13)16-19-15-14(22-16)6-5-11-18-15/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyRMLSTILGUMHDAM-UHFFFAOYSA-N
XLogP3.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-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-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide
CID 71223585
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
CID 83859254
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-3-carboxylic acid
CID 24865593
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
[1,3]oxazolo[4,5-b]pyridin-2-ylmethanol
CID 83383622
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 82403009
2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
CID 154823845
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
CID 83830097
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide (CID 134794727) is N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide is CCN(CC)C(=O)C1CCC(c2nc3ncccc3o2)CC1.
What is the InChIKey of N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RMLSTILGUMHDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-20(4-2)17(21)13-9-7-12(8-10-13)16-19-15-14(22-16)6-5-11-18-15/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide?
N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134794727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).