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

C17H15F2N5O3 — CID 139413134

IUPACN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2COc3cc(-c4noc(C(F)F)n4)ccc32)n(C)n1
InChIInChI=1S/C17H15F2N5O3/c1-8-5-12(24(2)22-8)16(25)20-11-7-26-13-6-9(3-4-10(11)13)15-21-17(14(18)19)27-23-15/h3-6,11,14H,7H2,1-2H3,(H,20,25)
InChIKeyMQHXNDIWVAZLSC-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.58
Rot. Bonds4

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

N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 139413134) has the molecular formula C17H15F2N5O3 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID139413134
Molecular FormulaC17H15F2N5O3
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC NameN-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2COc3cc(-c4noc(C(F)F)n4)ccc32)n(C)n1
InChIInChI=1S/C17H15F2N5O3/c1-8-5-12(24(2)22-8)16(25)20-11-7-26-13-6-9(3-4-10(11)13)15-21-17(14(18)19)27-23-15/h3-6,11,14H,7H2,1-2H3,(H,20,25)
InChIKeyMQHXNDIWVAZLSC-UHFFFAOYSA-N
XLogP2.58
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272380
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76332639
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76332651
5-(2-Ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 25110168
2-(4-ethoxyphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372882
2-(4-ethoxyphenyl)-5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372883
[5-[1-[[3-(Trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637206
[5-[1-(2-Phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637356
(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-{[1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]oxy}phenyl)-5-methyl-1,2,4-oxadiazole
CID 91905401
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 139330775
N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methylpyrazole-3-carboxamide
CID 139330777

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]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 139413134) is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-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]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2COc3cc(-c4noc(C(F)F)n4)ccc32)n(C)n1.
What is the InChIKey of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MQHXNDIWVAZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O3/c1-8-5-12(24(2)22-8)16(25)20-11-7-26-13-6-9(3-4-10(11)13)15-21-17(14(18)19)27-23-15/h3-6,11,14H,7H2,1-2H3,(H,20,25).
What are the key properties of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 2.58, 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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 139413134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).