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

C22H22N4O2 — CID 134808350

IUPACN-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
SMILESCOCCCNc1ncccc1-c1cc(-c2ccccc2)nc2c(C)noc12
InChIInChI=1S/C22H22N4O2/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-4-3-5-9-16)17-10-6-11-23-22(17)24-12-7-13-27-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,24)
InChIKeyVIEJURAQELZFGQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.71
Rot. Bonds7

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

N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine (PubChem CID 134808350) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
PubChem CID134808350
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
SMILESCOCCCNc1ncccc1-c1cc(-c2ccccc2)nc2c(C)noc12
InChIInChI=1S/C22H22N4O2/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-4-3-5-9-16)17-10-6-11-23-22(17)24-12-7-13-27-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,24)
InChIKeyVIEJURAQELZFGQ-UHFFFAOYSA-N
XLogP4.71
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine (CID 134808350) is N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine is COCCCNc1ncccc1-c1cc(-c2ccccc2)nc2c(C)noc12.
What is the InChIKey of N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
The InChIKey is VIEJURAQELZFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-20-21(28-26-15)18(14-19(25-20)16-8-4-3-5-9-16)17-10-6-11-23-22(17)24-12-7-13-27-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine?
N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine has a molecular weight of 374.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine is sourced from PubChem (CID 134808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).