3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H26N4O3 — CID 24642375

IUPAC3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CN(CC(C)C)CCO2)c2c(C)noc2n1
InChIInChI=1S/C18H26N4O3/c1-11(2)9-22-5-6-24-14(10-22)8-19-17(23)15-7-12(3)20-18-16(15)13(4)21-25-18/h7,11,14H,5-6,8-10H2,1-4H3,(H,19,23)
InChIKeyKWULEOGGCMKXBN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.93
Rot. Bonds5

About 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24642375) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24642375
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CN(CC(C)C)CCO2)c2c(C)noc2n1
InChIInChI=1S/C18H26N4O3/c1-11(2)9-22-5-6-24-14(10-22)8-19-17(23)15-7-12(3)20-18-16(15)13(4)21-25-18/h7,11,14H,5-6,8-10H2,1-4H3,(H,19,23)
InChIKeyKWULEOGGCMKXBN-UHFFFAOYSA-N
XLogP1.93
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24642375) is 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CN(CC(C)C)CCO2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KWULEOGGCMKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)9-22-5-6-24-14(10-22)8-19-17(23)15-7-12(3)20-18-16(15)13(4)21-25-18/h7,11,14H,5-6,8-10H2,1-4H3,(H,19,23).
What are the key properties of 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24642375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).