2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C17H14F2N4O3 — CID 134042975

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H14F2N4O3/c18-17(19)25-13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-20-8-6-12/h1-8,17H,9-10H2,(H,21,24)
InChIKeyNDWCFTMWFWNOND-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.59
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 134042975) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID134042975
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H14F2N4O3/c18-17(19)25-13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-20-8-6-12/h1-8,17H,9-10H2,(H,21,24)
InChIKeyNDWCFTMWFWNOND-UHFFFAOYSA-N
XLogP2.59
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 112809164
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
N-[(2-fluorophenyl)methyl]-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538356
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 134042975) is 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(Cc1ccc(OC(F)F)cc1)NCc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is NDWCFTMWFWNOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c18-17(19)25-13-3-1-11(2-4-13)9-14(24)21-10-15-22-16(23-26-15)12-5-7-20-8-6-12/h1-8,17H,9-10H2,(H,21,24).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 360.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 134042975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).