N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide

C16H13F2N5O3 — CID 139330777

IUPACN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1COc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C16H13F2N5O3/c1-23-11(4-5-19-23)15(24)20-10-7-25-12-6-8(2-3-9(10)12)14-21-16(13(17)18)26-22-14/h2-6,10,13H,7H2,1H3,(H,20,24)
InChIKeyJWBGAGJOXSQKHD-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.27
Rot. Bonds4

About N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide

N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 139330777) has the molecular formula C16H13F2N5O3 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID139330777
Molecular FormulaC16H13F2N5O3
Molecular Weight361.31 g/mol
Exact Mass361.10
IUPAC NameN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1COc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C16H13F2N5O3/c1-23-11(4-5-19-23)15(24)20-10-7-25-12-6-8(2-3-9(10)12)14-21-16(13(17)18)26-22-14/h2-6,10,13H,7H2,1H3,(H,20,24)
InChIKeyJWBGAGJOXSQKHD-UHFFFAOYSA-N
XLogP2.27
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162669536
5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2,3,4,5-tetrahydrobenzo[b]oxepin-5-yl)-1,2,4-oxadiazole-2-carboxamide
CID 137445086
5-(2-Ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 25110168
(S)-1-(3-(5-(1-aminoethyl)-1,2,4-oxadiazol-3-yl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879897
3-[4-(4-fluorophenoxy)phenyl]-5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 53035359
3-(4-{[1-(1-Methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}phenyl)-5-phenyl-1,2,4-oxadiazole
CID 124072055
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 139330775
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 139412207
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 139412209
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-2-(hydroxymethyl)isonicotinamide
CID 139412271
N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-1-methylpyrazole-4-carboxamide
CID 139412475
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 139412834

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide (CID 139330777) is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1COc2cc(-c3noc(C(F)F)n3)ccc21.
What is the InChIKey of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JWBGAGJOXSQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O3/c1-23-11(4-5-19-23)15(24)20-10-7-25-12-6-8(2-3-9(10)12)14-21-16(13(17)18)26-22-14/h2-6,10,13H,7H2,1H3,(H,20,24).
What are the key properties of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide?
N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139330777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).