2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide

C16H20F3N3O4 — CID 176697616

IUPAC2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide
SMILESCOC(C)C.CON(C=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O3.C4H10O/c1-20-18(7-19)6-8-2-4-9(5-3-8)10-16-11(21-17-10)12(13,14)15;1-4(2)5-3/h2-5,7H,6H2,1H3;4H,1-3H3
InChIKeyDAMGFKLYNOQQHW-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.32
Rot. Bonds6

About 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide

2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide (PubChem CID 176697616) has the molecular formula C16H20F3N3O4 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide.

Molecular Properties

Compound Name2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide
PubChem CID176697616
Molecular FormulaC16H20F3N3O4
Molecular Weight375.35 g/mol
Exact Mass375.14
IUPAC Name2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide
SMILESCOC(C)C.CON(C=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O3.C4H10O/c1-20-18(7-19)6-8-2-4-9(5-3-8)10-16-11(21-17-10)12(13,14)15;1-4(2)5-3/h2-5,7H,6H2,1H3;4H,1-3H3
InChIKeyDAMGFKLYNOQQHW-UHFFFAOYSA-N
XLogP3.32
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methoxy-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155768296
1-methoxy-3-methyl-3-propan-2-yl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521098
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
1-methoxy-3-methyl-3-(2,2,2-trifluoroethyl)-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521200
N,3-dimethoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768779
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139509769
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-4-enamide
CID 155768284
N-(cyclopropylmethyl)-2-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768546
3,3,3-trifluoro-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768642
N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155768691
N-(furan-2-ylmethyl)-2-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768291

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide?
The IUPAC name of 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide (CID 176697616) is 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide.
What is the SMILES notation for 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide?
The canonical SMILES for 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide is COC(C)C.CON(C=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide?
The InChIKey is DAMGFKLYNOQQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3.C4H10O/c1-20-18(7-19)6-8-2-4-9(5-3-8)10-16-11(21-17-10)12(13,14)15;1-4(2)5-3/h2-5,7H,6H2,1H3;4H,1-3H3.
What are the key properties of 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide?
2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide has a molecular weight of 375.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide is sourced from PubChem (CID 176697616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).