5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C14H19N3O — CID 97405665

IUPAC5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2onc(Cn3cccc3)c2C1
InChIInChI=1S/C14H19N3O/c1-11(2)17-8-5-14-12(9-17)13(15-18-14)10-16-6-3-4-7-16/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKeyYHBRFSXUHZPQQA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.29
Rot. Bonds3

About 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 97405665) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID97405665
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2onc(Cn3cccc3)c2C1
InChIInChI=1S/C14H19N3O/c1-11(2)17-8-5-14-12(9-17)13(15-18-14)10-16-6-3-4-7-16/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKeyYHBRFSXUHZPQQA-UHFFFAOYSA-N
XLogP2.29
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 97405665) is 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)N1CCc2onc(Cn3cccc3)c2C1.
What is the InChIKey of 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is YHBRFSXUHZPQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17-8-5-14-12(9-17)13(15-18-14)10-16-6-3-4-7-16/h3-4,6-7,11H,5,8-10H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(pyrrol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 97405665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).