3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C19H22N4O2 — CID 134810989

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCN3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H22N4O2/c1-14-18-19(25-22-14)17(20-7-8-23-9-11-24-12-10-23)13-16(21-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,21)
InChIKeySAYHCPGEOLCNSW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134810989) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134810989
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCN3CCOCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H22N4O2/c1-14-18-19(25-22-14)17(20-7-8-23-9-11-24-12-10-23)13-16(21-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,21)
InChIKeySAYHCPGEOLCNSW-UHFFFAOYSA-N
XLogP2.94
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134810989) is 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCCN3CCOCC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is SAYHCPGEOLCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-18-19(25-22-14)17(20-7-8-23-9-11-24-12-10-23)13-16(21-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 338.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134810989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).