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

C18H21F2N3O4 — CID 11463158

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)O)o1
InChIInChI=1S/C18H21F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14,24H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyXUFSZVKPXZZBJU-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.47
Rot. Bonds8

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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide (PubChem CID 11463158) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide
PubChem CID11463158
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)O)o1
InChIInChI=1S/C18H21F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14,24H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyXUFSZVKPXZZBJU-UHFFFAOYSA-N
XLogP2.47
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.47
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-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide (CID 11463158) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)O)o1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide?
The InChIKey is XUFSZVKPXZZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-3-4-14(17(26)23-18-21-9-15(27-18)10(2)24)22-16(25)7-11-5-12(19)8-13(20)6-11/h5-6,8-10,14,24H,3-4,7H2,1-2H3,(H,22,25)(H,21,23,26).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide has a molecular weight of 381.38 g/mol, XLogP of 2.47, 8 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-(1-hydroxyethyl)-1,3-oxazol-2-yl]pentanamide is sourced from PubChem (CID 11463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).