2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid

C17H17F2N3O5 — CID 11361017

IUPAC2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C17H17F2N3O5/c1-2-3-12(15(24)22-17-20-8-13(27-17)16(25)26)21-14(23)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,21,23)(H,25,26)(H,20,22,24)
InChIKeyVELPDMYMPUZZTI-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.12
Rot. Bonds8

About 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid

2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid (PubChem CID 11361017) has the molecular formula C17H17F2N3O5 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid
PubChem CID11361017
Molecular FormulaC17H17F2N3O5
Molecular Weight381.34 g/mol
Exact Mass381.11
IUPAC Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C17H17F2N3O5/c1-2-3-12(15(24)22-17-20-8-13(27-17)16(25)26)21-14(23)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,21,23)(H,25,26)(H,20,22,24)
InChIKeyVELPDMYMPUZZTI-UHFFFAOYSA-N
XLogP2.12
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid (CID 11361017) is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(=O)O)o1.
What is the InChIKey of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid?
The InChIKey is VELPDMYMPUZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O5/c1-2-3-12(15(24)22-17-20-8-13(27-17)16(25)26)21-14(23)6-9-4-10(18)7-11(19)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,21,23)(H,25,26)(H,20,22,24).
What are the key properties of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid?
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid has a molecular weight of 381.34 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 11361017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).