methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate

C17H11F2N3O4 — CID 142440216

IUPACmethyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2ccc(F)c(NC(=O)c3ccccc3F)c2)o1
InChIInChI=1S/C17H11F2N3O4/c1-25-17(24)16-22-21-15(26-16)9-6-7-12(19)13(8-9)20-14(23)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,20,23)
InChIKeyNSAMQQKFUFTVJM-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.05
Rot. Bonds4

About methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate

methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 142440216) has the molecular formula C17H11F2N3O4 and a molecular weight of 359.29 g/mol. Its IUPAC name is methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID142440216
Molecular FormulaC17H11F2N3O4
Molecular Weight359.29 g/mol
Exact Mass359.07
IUPAC Namemethyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2ccc(F)c(NC(=O)c3ccccc3F)c2)o1
InChIInChI=1S/C17H11F2N3O4/c1-25-17(24)16-22-21-15(26-16)9-6-7-12(19)13(8-9)20-14(23)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,20,23)
InChIKeyNSAMQQKFUFTVJM-UHFFFAOYSA-N
XLogP3.05
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N-[2-fluoro-5-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 142439989
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347303
N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxypyridine-3-carboxamide
CID 142440003
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347176
5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 142440146
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide
CID 146494232
2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 142440388
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate (CID 142440216) is methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(-c2ccc(F)c(NC(=O)c3ccccc3F)c2)o1.
What is the InChIKey of methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is NSAMQQKFUFTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O4/c1-25-17(24)16-22-21-15(26-16)9-6-7-12(19)13(8-9)20-14(23)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,20,23).
What are the key properties of methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate?
methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 359.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 142440216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).