2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid

C11H13F3N2O4 — CID 126838972

IUPAC2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ncoc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F3N2O4/c1-2-3-4-6(10(18)19)16-9(17)7-8(11(12,13)14)20-5-15-7/h5-6H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyDKEIZFAKGCKXQV-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.07
Rot. Bonds6

About 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid

2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid (PubChem CID 126838972) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid
PubChem CID126838972
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ncoc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F3N2O4/c1-2-3-4-6(10(18)19)16-9(17)7-8(11(12,13)14)20-5-15-7/h5-6H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyDKEIZFAKGCKXQV-UHFFFAOYSA-N
XLogP2.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 75441942
5-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-oxazole-4-carboxamide
CID 132344982
2-[[2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]butanoic acid
CID 176262452
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 109907468
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120409769
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 120409770
N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 122153301
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535055
N-[(1S,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535056
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535057
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535058
N-(3-fluorocyclopentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 126780390

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid (CID 126838972) is 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid is CCCCC(NC(=O)c1ncoc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid?
The InChIKey is DKEIZFAKGCKXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-2-3-4-6(10(18)19)16-9(17)7-8(11(12,13)14)20-5-15-7/h5-6H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid?
2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid has a molecular weight of 294.23 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 126838972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).