2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide

C18H21F3N2O3 — CID 67058570

IUPAC2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
SMILESCCCOc1ccc(-c2cc(C(CCC)C(N)=O)on2)c(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c1-3-5-13(17(22)24)16-10-15(23-26-16)12-7-6-11(25-8-4-2)9-14(12)18(19,20)21/h6-7,9-10,13H,3-5,8H2,1-2H3,(H2,22,24)
InChIKeyGZXFOXOAZSULDV-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.52
Rot. Bonds8

About 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide

2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide (PubChem CID 67058570) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide.

Molecular Properties

Compound Name2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
PubChem CID67058570
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
SMILESCCCOc1ccc(-c2cc(C(CCC)C(N)=O)on2)c(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O3/c1-3-5-13(17(22)24)16-10-15(23-26-16)12-7-6-11(25-8-4-2)9-14(12)18(19,20)21/h6-7,9-10,13H,3-5,8H2,1-2H3,(H2,22,24)
InChIKeyGZXFOXOAZSULDV-UHFFFAOYSA-N
XLogP4.52
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
CID 67058553
5-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide
CID 123286323
N-butyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide
CID 67058581
2-[6-[4-propoxy-2-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
CID 67031687
ethyl 2-[2-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate
CID 67058597
ethyl 2-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate
CID 123541333
5-[1-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]ethyl]-3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 46842371
propan-2-yl 2-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate
CID 123316689
sodium;hydride;3-sulfooxypropyl 2-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate
CID 173040552
sodium 3-[[2-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetyl]amino]propanoate
CID 50996809
2-(2-methoxyethoxy)ethyl 2-[2-(2,3-difluorophenyl)-1H-imidazo[4,5-c]pyridazin-5-yl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetate
CID 123382655
2-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]-N-[2-(methoxymethoxy)ethyl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide
CID 58164001

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?
The IUPAC name of 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide (CID 67058570) is 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide.
What is the SMILES notation for 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?
The canonical SMILES for 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide is CCCOc1ccc(-c2cc(C(CCC)C(N)=O)on2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?
The InChIKey is GZXFOXOAZSULDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-3-5-13(17(22)24)16-10-15(23-26-16)12-7-6-11(25-8-4-2)9-14(12)18(19,20)21/h6-7,9-10,13H,3-5,8H2,1-2H3,(H2,22,24).
What are the key properties of 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide?
2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide has a molecular weight of 370.37 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pentanamide is sourced from PubChem (CID 67058570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).