3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide

C16H15F3N4O3 — CID 175454941

IUPAC3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide
SMILESCc1noc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C.NC=O
InChIInChI=1S/C15H12F3N3O2.CH3NO/c1-8-9(2)20-22-12(8)7-10-3-5-11(6-4-10)13-19-14(23-21-13)15(16,17)18;2-1-3/h3-6H,7H2,1-2H3;1H,(H2,2,3)
InChIKeyGWROAPNFGPTBSE-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.05
Rot. Bonds3

About 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide

3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide (PubChem CID 175454941) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide.

Molecular Properties

Compound Name3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide
PubChem CID175454941
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Name3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide
SMILESCc1noc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C.NC=O
InChIInChI=1S/C15H12F3N3O2.CH3NO/c1-8-9(2)20-22-12(8)7-10-3-5-11(6-4-10)13-19-14(23-21-13)15(16,17)18;2-1-3/h3-6H,7H2,1-2H3;1H,(H2,2,3)
InChIKeyGWROAPNFGPTBSE-UHFFFAOYSA-N
XLogP3.05
TPSA108.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl N-propan-2-ylcarbamate
CID 166559367
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide
CID 176697616
[1-ethoxy-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethylidene]azanium chloride
CID 142514896
ethyl 2-oxo-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]acetate
CID 129285064
4-[2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]tetrazol-5-yl]benzaldehyde
CID 139532785
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide?
The IUPAC name of 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide (CID 175454941) is 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide.
What is the SMILES notation for 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide?
The canonical SMILES for 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide is Cc1noc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1C.NC=O.
What is the InChIKey of 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide?
The InChIKey is GWROAPNFGPTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2.CH3NO/c1-8-9(2)20-22-12(8)7-10-3-5-11(6-4-10)13-19-14(23-21-13)15(16,17)18;2-1-3/h3-6H,7H2,1-2H3;1H,(H2,2,3).
What are the key properties of 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide?
3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide has a molecular weight of 368.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;formamide is sourced from PubChem (CID 175454941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).