3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide

C19H21F2N3O3 — CID 155872072

About 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide

3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide (PubChem CID 155872072) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
• PubChem CID: 155872072
• Molecular Formula: C19H21F2N3O3
• Molecular Weight: 377.39 g/mol
• Exact Mass: 377.16
• IUPAC Name: 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
• SMILES: O=C(NC1CCc2onc(CN3CCOCC3)c2C1)c1ccc(F)c(F)c1
• InChI: InChI=1S/C19H21F2N3O3/c20-15-3-1-12(9-16(15)21)19(25)22-13-2-4-18-14(10-13)17(23-27-18)11-24-5-7-26-8-6-24/h1,3,9,13H,2,4-8,10-11H2,(H,22,25)
• InChIKey: KKAHIXSPXYZHPF-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.39
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?

The IUPAC name of 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide (CID 155872072) is 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide.

What is the SMILES notation for 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?

The canonical SMILES for 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide is O=C(NC1CCc2onc(CN3CCOCC3)c2C1)c1ccc(F)c(F)c1.

What is the InChIKey of 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?

The InChIKey is KKAHIXSPXYZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-15-3-1-12(9-16(15)21)19(25)22-13-2-4-18-14(10-13)17(23-27-18)11-24-5-7-26-8-6-24/h1,3,9,13H,2,4-8,10-11H2,(H,22,25).

What are the key properties of 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?

3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide has a molecular weight of 377.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 155872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).