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

C22H14F3N7O3 — CID 169162793

IUPAC[4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1oc(-c2ccncn2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C22H14F3N7O3/c23-10-2-1-3-12-17(10)34-21(30-12)16-14-11(28-9-29-14)5-7-32(16)22(33)18-15(19(24)25)31-20(35-18)13-4-6-26-8-27-13/h1-4,6,8-9,16,19H,5,7H2,(H,28,29)/t16-/m0/s1
InChIKeyZHMNWBNDUSEFAW-INIZCTEOSA-N
MW481.39 g/mol
LogP3.86
Rot. Bonds4

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

[4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169162793) has the molecular formula C22H14F3N7O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169162793
Molecular FormulaC22H14F3N7O3
Molecular Weight481.39 g/mol
Exact Mass481.11
IUPAC Name[4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1oc(-c2ccncn2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1
InChIInChI=1S/C22H14F3N7O3/c23-10-2-1-3-12-17(10)34-21(30-12)16-14-11(28-9-29-14)5-7-32(16)22(33)18-15(19(24)25)31-20(35-18)13-4-6-26-8-27-13/h1-4,6,8-9,16,19H,5,7H2,(H,28,29)/t16-/m0/s1
InChIKeyZHMNWBNDUSEFAW-INIZCTEOSA-N
XLogP3.86
TPSA126.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169162793) is [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1oc(-c2ccncn2)nc1C(F)F)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2o1.
What is the InChIKey of [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ZHMNWBNDUSEFAW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H14F3N7O3/c23-10-2-1-3-12-17(10)34-21(30-12)16-14-11(28-9-29-14)5-7-32(16)22(33)18-15(19(24)25)31-20(35-18)13-4-6-26-8-27-13/h1-4,6,8-9,16,19H,5,7H2,(H,28,29)/t16-/m0/s1.
What are the key properties of [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 481.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-pyrimidin-4-yl-1,3-oxazol-5-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169162793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).