2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide

C19H23F2N3O4 — CID 11211599

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CC(C)O)o1
InChIInChI=1S/C19H23F2N3O4/c1-3-4-16(18(27)24-19-22-10-15(28-19)5-11(2)25)23-17(26)8-12-6-13(20)9-14(21)7-12/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyXUDYPPYUDBGJLE-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.34
Rot. Bonds9

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide (PubChem CID 11211599) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
PubChem CID11211599
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CC(C)O)o1
InChIInChI=1S/C19H23F2N3O4/c1-3-4-16(18(27)24-19-22-10-15(28-19)5-11(2)25)23-17(26)8-12-6-13(20)9-14(21)7-12/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyXUDYPPYUDBGJLE-UHFFFAOYSA-N
XLogP2.34
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide (CID 11211599) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CC(C)O)o1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide?
The InChIKey is XUDYPPYUDBGJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-3-4-16(18(27)24-19-22-10-15(28-19)5-11(2)25)23-17(26)8-12-6-13(20)9-14(21)7-12/h6-7,9-11,16,25H,3-5,8H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide has a molecular weight of 395.41 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide is sourced from PubChem (CID 11211599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).