N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H22N4O2 — CID 119548126

IUPACN-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NCCc3ccc(N)cc3)c12
InChIInChI=1S/C19H22N4O2/c1-11(2)16-10-15(17-12(3)23-25-19(17)22-16)18(24)21-9-8-13-4-6-14(20)7-5-13/h4-7,10-11H,8-9,20H2,1-3H3,(H,21,24)
InChIKeyDCUQCTNTLYITJC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119548126) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119548126
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NCCc3ccc(N)cc3)c12
InChIInChI=1S/C19H22N4O2/c1-11(2)16-10-15(17-12(3)23-25-19(17)22-16)18(24)21-9-8-13-4-6-14(20)7-5-13/h4-7,10-11H,8-9,20H2,1-3H3,(H,21,24)
InChIKeyDCUQCTNTLYITJC-UHFFFAOYSA-N
XLogP3.21
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119406041
3-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86833408
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836643
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45490639
benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate
CID 78830434
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78853386
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112817342
N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78865541
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586431

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119548126) is N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)NCCc3ccc(N)cc3)c12.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DCUQCTNTLYITJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11(2)16-10-15(17-12(3)23-25-19(17)22-16)18(24)21-9-8-13-4-6-14(20)7-5-13/h4-7,10-11H,8-9,20H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119548126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).