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

C16H14ClFN4O4 — CID 56704523

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)no1
InChIInChI=1S/C16H14ClFN4O4/c1-9-19-14(21-26-9)6-22(2)16(23)12-7-25-15(20-12)8-24-13-4-3-10(18)5-11(13)17/h3-5,7H,6,8H2,1-2H3
InChIKeyUNNDLTCPZAUEHX-UHFFFAOYSA-N
MW380.76 g/mol
LogP3.01
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56704523) has the molecular formula C16H14ClFN4O4 and a molecular weight of 380.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56704523
Molecular FormulaC16H14ClFN4O4
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)no1
InChIInChI=1S/C16H14ClFN4O4/c1-9-19-14(21-26-9)6-22(2)16(23)12-7-25-15(20-12)8-24-13-4-3-10(18)5-11(13)17/h3-5,7H,6,8H2,1-2H3
InChIKeyUNNDLTCPZAUEHX-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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177
N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26317223
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
N-(1,3-benzoxazol-2-ylmethyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42156624
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26322993
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42213763
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-ethyl-3-hydroxypiperidin-1-yl]methanone
CID 95209558
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42096490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 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) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)no1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UNNDLTCPZAUEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O4/c1-9-19-14(21-26-9)6-22(2)16(23)12-7-25-15(20-12)8-24-13-4-3-10(18)5-11(13)17/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-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 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56704523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).