[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C16H18F3N5O2 — CID 169167114

IUPAC[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1oc(N2CCC(F)CC2)nc1C(F)F)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H18F3N5O2/c17-9-1-4-23(5-2-9)16-22-12(14(18)19)13(26-16)15(25)24-6-3-10-11(7-24)21-8-20-10/h8-9,14H,1-7H2,(H,20,21)
InChIKeyFALXHFCONTWPMQ-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.47
Rot. Bonds3

About [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169167114) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169167114
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1oc(N2CCC(F)CC2)nc1C(F)F)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H18F3N5O2/c17-9-1-4-23(5-2-9)16-22-12(14(18)19)13(26-16)15(25)24-6-3-10-11(7-24)21-8-20-10/h8-9,14H,1-7H2,(H,20,21)
InChIKeyFALXHFCONTWPMQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169167114) is [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1oc(N2CCC(F)CC2)nc1C(F)F)N1CCc2nc[nH]c2C1.
What is the InChIKey of [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is FALXHFCONTWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-9-1-4-23(5-2-9)16-22-12(14(18)19)13(26-16)15(25)24-6-3-10-11(7-24)21-8-20-10/h8-9,14H,1-7H2,(H,20,21).
What are the key properties of [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 369.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169167114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).