N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide

C11H8F2N2O2 — CID 155823207

IUPACN-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccno1
InChIInChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-14-11(16)10-3-4-15-17-10/h1-5H,6H2,(H,14,16)
InChIKeyDATOJTBHOUFJJD-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.88
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide

N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 155823207) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID155823207
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccno1
InChIInChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-14-11(16)10-3-4-15-17-10/h1-5H,6H2,(H,14,16)
InChIKeyDATOJTBHOUFJJD-UHFFFAOYSA-N
XLogP1.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 121172381
N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 163213317
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide (CID 155823207) is N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccno1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DATOJTBHOUFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-14-11(16)10-3-4-15-17-10/h1-5H,6H2,(H,14,16).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 238.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155823207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).