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

C19H15F2N5O4 — CID 169163481

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

[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169163481) has the molecular formula C19H15F2N5O4 and a molecular weight of 415.36 g/mol. Its IUPAC name is [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 169163481
• Molecular Formula: C19H15F2N5O4
• Molecular Weight: 415.36 g/mol
• Exact Mass: 415.11
• IUPAC Name: [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: COc1ccc2oc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ocnc3C(F)F)nc2c1
• InChI: InChI=1S/C19H15F2N5O4/c1-28-9-2-3-12-11(6-9)25-18(30-12)15-13-10(22-7-23-13)4-5-26(15)19(27)16-14(17(20)21)24-8-29-16/h2-3,6-8,15,17H,4-5H2,1H3,(H,22,23)/t15-/m0/s1
• InChIKey: TVMVQPIDGODDAR-HNNXBMFYSA-N
• XLogP: 3.27
• TPSA: 110.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.36
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169163481) is [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-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)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc2oc([C@@H]3c4nc[nH]c4CCN3C(=O)c3ocnc3C(F)F)nc2c1.

What is the InChIKey of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is TVMVQPIDGODDAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15F2N5O4/c1-28-9-2-3-12-11(6-9)25-18(30-12)15-13-10(22-7-23-13)4-5-26(15)19(27)16-14(17(20)21)24-8-29-16/h2-3,6-8,15,17H,4-5H2,1H3,(H,22,23)/t15-/m0/s1.

What are the key properties of [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 415.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169163481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).