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

C17H14F2N4O4 — CID 139412858

IUPACN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)ccc32)o1
InChIInChI=1S/C17H14F2N4O4/c1-7-13(26-8(2)20-7)16(24)21-11-6-25-12-5-9(3-4-10(11)12)15-22-17(14(18)19)27-23-15/h3-5,11,14H,6H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyDGKSKPAGBXRBJD-LLVKDONJSA-N
MW376.32 g/mol
LogP3.14
Rot. Bonds4

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

N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 139412858) has the molecular formula C17H14F2N4O4 and a molecular weight of 376.32 g/mol. Its IUPAC name is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID139412858
Molecular FormulaC17H14F2N4O4
Molecular Weight376.32 g/mol
Exact Mass376.10
IUPAC NameN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)ccc32)o1
InChIInChI=1S/C17H14F2N4O4/c1-7-13(26-8(2)20-7)16(24)21-11-6-25-12-5-9(3-4-10(11)12)15-22-17(14(18)19)27-23-15/h3-5,11,14H,6H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyDGKSKPAGBXRBJD-LLVKDONJSA-N
XLogP3.14
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

(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
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-2-methyloxazole-5-carboxamide
CID 139412446
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-4-methyloxazole-5-carboxamide
CID 139412563
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-2,4-dimethyloxazole-5-carboxamide
CID 139412703
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-2-methyloxazole-5-carboxamide
CID 139412811
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 139412834
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 139413023
(S)-N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 139413131
N-(6-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydrobenzofuran-3-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 139413134
5-(2,4-Dimethyl-1,3-oxazol-5-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 75451763
N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 139412567

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 139412858) is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)ccc32)o1.
What is the InChIKey of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DGKSKPAGBXRBJD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14F2N4O4/c1-7-13(26-8(2)20-7)16(24)21-11-6-25-12-5-9(3-4-10(11)12)15-22-17(14(18)19)27-23-15/h3-5,11,14H,6H2,1-2H3,(H,21,24)/t11-/m1/s1.
What are the key properties of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 376.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139412858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).