N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide

C20H19N3O5 — CID 154842710

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2oc(=O)[nH]c2n1
InChIInChI=1S/C20H19N3O5/c24-18(13-4-6-15-17(21-13)22-19(25)28-15)23-20(7-1-2-8-20)12-3-5-14-16(11-12)27-10-9-26-14/h3-6,11H,1-2,7-10H2,(H,23,24)(H,21,22,25)
InChIKeyJMLAPAMXUUZBPX-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 154842710) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide
PubChem CID154842710
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2oc(=O)[nH]c2n1
InChIInChI=1S/C20H19N3O5/c24-18(13-4-6-15-17(21-13)22-19(25)28-15)23-20(7-1-2-8-20)12-3-5-14-16(11-12)27-10-9-26-14/h3-6,11H,1-2,7-10H2,(H,23,24)(H,21,22,25)
InChIKeyJMLAPAMXUUZBPX-UHFFFAOYSA-N
XLogP2.49
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide (CID 154842710) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide is O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2oc(=O)[nH]c2n1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is JMLAPAMXUUZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-18(13-4-6-15-17(21-13)22-19(25)28-15)23-20(7-1-2-8-20)12-3-5-14-16(11-12)27-10-9-26-14/h3-6,11H,1-2,7-10H2,(H,23,24)(H,21,22,25).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 154842710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).