[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C24H27N3O4 — CID 170506166

IUPAC[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3oc(CCc4ccccc4)nc3C2)c(OCCN)c1
InChIInChI=1S/C24H27N3O4/c1-29-18-8-9-19(22(15-18)30-14-12-25)24(28)27-13-11-21-20(16-27)26-23(31-21)10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16,25H2,1H3
InChIKeyBBKUYBNQJQCPCY-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.00
Rot. Bonds8

About [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170506166) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170506166
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3oc(CCc4ccccc4)nc3C2)c(OCCN)c1
InChIInChI=1S/C24H27N3O4/c1-29-18-8-9-19(22(15-18)30-14-12-25)24(28)27-13-11-21-20(16-27)26-23(31-21)10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16,25H2,1H3
InChIKeyBBKUYBNQJQCPCY-UHFFFAOYSA-N
XLogP3.00
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488
(2,6-dimethoxy-3-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169412523
[2-(methylamino)-3-pyridinyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170512763
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 169413708
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 170502130
5-methyl-3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 170511258
(2S)-2-amino-3-hydroxy-1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 171910348
(2-chloro-6-fluorophenyl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421733
methyl 3-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methoxybenzoate
CID 170508054
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421245
3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridazin-6-one
CID 169411090

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170506166) is [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C(=O)N2CCc3oc(CCc4ccccc4)nc3C2)c(OCCN)c1.
What is the InChIKey of [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BBKUYBNQJQCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-18-8-9-19(22(15-18)30-14-12-25)24(28)27-13-11-21-20(16-27)26-23(31-21)10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16,25H2,1H3.
What are the key properties of [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
[2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 421.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-4-methoxyphenyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170506166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).