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

C20H23N3O2 — CID 169421964

IUPAC1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1cccc3cc[nH]c13)C2
InChIInChI=1S/C20H23N3O2/c1-13(2)6-7-18-22-16-12-23(11-9-17(16)25-18)20(24)15-5-3-4-14-8-10-21-19(14)15/h3-5,8,10,13,21H,6-7,9,11-12H2,1-2H3
InChIKeyAGMJNOVAUCETAE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.94
Rot. Bonds4

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

1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169421964) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID169421964
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1cccc3cc[nH]c13)C2
InChIInChI=1S/C20H23N3O2/c1-13(2)6-7-18-22-16-12-23(11-9-17(16)25-18)20(24)15-5-3-4-14-8-10-21-19(14)15/h3-5,8,10,13,21H,6-7,9,11-12H2,1-2H3
InChIKeyAGMJNOVAUCETAE-UHFFFAOYSA-N
XLogP3.94
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 169421964) is 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is CC(C)CCc1nc2c(o1)CCN(C(=O)c1cccc3cc[nH]c13)C2.
What is the InChIKey of 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is AGMJNOVAUCETAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)6-7-18-22-16-12-23(11-9-17(16)25-18)20(24)15-5-3-4-14-8-10-21-19(14)15/h3-5,8,10,13,21H,6-7,9,11-12H2,1-2H3.
What are the key properties of 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169421964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).