N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide

C14H17FN4O2 — CID 47063703

IUPACN-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2nc(C(C)C)no2)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-8(2)14-18-13(21-19-14)7-16-10-4-5-11(15)12(6-10)17-9(3)20/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyJBZQFGMYPZQXFP-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.90
Rot. Bonds5

About N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 47063703) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
PubChem CID47063703
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2nc(C(C)C)no2)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-8(2)14-18-13(21-19-14)7-16-10-4-5-11(15)12(6-10)17-9(3)20/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyJBZQFGMYPZQXFP-UHFFFAOYSA-N
XLogP2.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 55544423
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (CID 47063703) is N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2nc(C(C)C)no2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is JBZQFGMYPZQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8(2)14-18-13(21-19-14)7-16-10-4-5-11(15)12(6-10)17-9(3)20/h4-6,8,16H,7H2,1-3H3,(H,17,20).
What are the key properties of N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 292.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 47063703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).