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

C18H26N4O3 — CID 78831683

IUPACN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H26N4O3/c1-7-22(9-15(23)19-11(4)5)18(24)13-8-14(10(2)3)20-17-16(13)12(6)21-25-17/h8,10-11H,7,9H2,1-6H3,(H,19,23)
InChIKeyJQHFSDGLRLUABT-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.64
Rot. Bonds6

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

N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78831683) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78831683
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H26N4O3/c1-7-22(9-15(23)19-11(4)5)18(24)13-8-14(10(2)3)20-17-16(13)12(6)21-25-17/h8,10-11H,7,9H2,1-6H3,(H,19,23)
InChIKeyJQHFSDGLRLUABT-UHFFFAOYSA-N
XLogP2.64
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78831683) is N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JQHFSDGLRLUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-7-22(9-15(23)19-11(4)5)18(24)13-8-14(10(2)3)20-17-16(13)12(6)21-25-17/h8,10-11H,7,9H2,1-6H3,(H,19,23).
What are the key properties of N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).