[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

C18H16F2N4O3 — CID 118399769

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 [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

[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 (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[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
PubChem CID118399769
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
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
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
XLogP2.93
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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 (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 [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?
The canonical SMILES for [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 is O=C(c1cnc2c(-c3cnco3)cc(C(F)F)cn12)N1C2CCC1COC2.
What is the InChIKey of [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?
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 [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?
[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 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 [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 is sourced from PubChem (CID 118399769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).