5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C16H14ClFN4O4 — CID 24817549

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C16H14ClFN4O4/c1-9-14(21-26-19-9)7-22(2)16(23)13-6-11(25-20-13)8-24-15-4-3-10(18)5-12(15)17/h3-6H,7-8H2,1-2H3
InChIKeyQJDNYIQJCFJHQM-UHFFFAOYSA-N
MW380.76 g/mol
LogP3.01
Rot. Bonds6

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817549) has the molecular formula C16H14ClFN4O4 and a molecular weight of 380.76 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24817549
Molecular FormulaC16H14ClFN4O4
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C16H14ClFN4O4/c1-9-14(21-26-19-9)7-22(2)16(23)13-6-11(25-20-13)8-24-15-4-3-10(18)5-12(15)17/h3-6H,7-8H2,1-2H3
InChIKeyQJDNYIQJCFJHQM-UHFFFAOYSA-N
XLogP3.01
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42156624
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56704523
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24794306
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 19454345
5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56704290
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 25369632
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 51600569

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24817549) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1nonc1CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QJDNYIQJCFJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O4/c1-9-14(21-26-19-9)7-22(2)16(23)13-6-11(25-20-13)8-24-15-4-3-10(18)5-12(15)17/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 380.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).