N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C18H20N4O2 — CID 43066871

IUPACN-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)13-10-16-12(3)21-24-18(16)19-11-13/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCJVDSBGBOSSVPH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.63
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 43066871) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID43066871
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)13-10-16-12(3)21-24-18(16)19-11-13/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCJVDSBGBOSSVPH-UHFFFAOYSA-N
XLogP3.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115593805
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 38039780
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 43066871) is N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CJVDSBGBOSSVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-22(5-2)15-8-6-14(7-9-15)20-17(23)13-10-16-12(3)21-24-18(16)19-11-13/h6-11H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 43066871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).