QBNISHCOVVANDU-UHFFFAOYSA-N

Name: QBNISHCOVVANDU-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆F₂N₄O₃ — CID 118399769

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

SMILESO=C(c1cnc2c(-c3cnco3)cc(C(F)F)cn12)N1C2CCC1COC2

InChIInChI=1S/C18H16F2N4O3/c19-16(20)10-3-13(15-5-21-9-27-15)17-22-4-14(23(17)6-10)18(25)24-11-1-2-12(24)8-26-7-11/h3-6,9,11-12,16H,1-2,7-8H2

InChIKeyQBNISHCOVVANDU-UHFFFAOYSA-N

MW374.35 g/mol

LogP2.93

Rot. Bonds3

About QBNISHCOVVANDU-UHFFFAOYSA-N

QBNISHCOVVANDU-UHFFFAOYSA-N (PubChem CID 118399769) has the molecular formula C₁₈H₁₆F₂N₄O₃ and a molecular weight of 374.35 g/mol. Its IUPAC name is [6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name	QBNISHCOVVANDU-UHFFFAOYSA-N
PubChem CID	118399769
Molecular Formula	C₁₈H₁₆F₂N₄O₃
Molecular Weight	374.35 g/mol
Exact Mass	374.12
IUPAC Name	[6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILES	O=C(c1cnc2c(-c3cnco3)cc(C(F)F)cn12)N1C2CCC1COC2
InChI	InChI=1S/C18H16F2N4O3/c19-16(20)10-3-13(15-5-21-9-27-15)17-22-4-14(23(17)6-10)18(25)24-11-1-2-12(24)8-26-7-11/h3-6,9,11-12,16H,1-2,7-8H2
InChIKey	QBNISHCOVVANDU-UHFFFAOYSA-N
XLogP	2.93
TPSA	72.87 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.35
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of QBNISHCOVVANDU-UHFFFAOYSA-N?

The IUPAC name of QBNISHCOVVANDU-UHFFFAOYSA-N (CID 118399769) is [6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

What is the SMILES notation for QBNISHCOVVANDU-UHFFFAOYSA-N?

The canonical SMILES for QBNISHCOVVANDU-UHFFFAOYSA-N is O=C(c1cnc2c(-c3cnco3)cc(C(F)F)cn12)N1C2CCC1COC2.

What is the InChIKey of QBNISHCOVVANDU-UHFFFAOYSA-N?

The InChIKey is QBNISHCOVVANDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c19-16(20)10-3-13(15-5-21-9-27-15)17-22-4-14(23(17)6-10)18(25)24-11-1-2-12(24)8-26-7-11/h3-6,9,11-12,16H,1-2,7-8H2.

What are the key properties of QBNISHCOVVANDU-UHFFFAOYSA-N?

QBNISHCOVVANDU-UHFFFAOYSA-N has a molecular weight of 374.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for QBNISHCOVVANDU-UHFFFAOYSA-N is sourced from PubChem (CID 118399769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118399769 — identifiers, structure, computed properties (public domain)

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