1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea

C16H12F3N5O2 — CID 146461156

IUPAC1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
SMILESO=C(Nc1ccc(Cc2noc(C(F)(F)F)n2)cc1)Nc1cccnc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)14-23-13(24-26-14)8-10-3-5-11(6-4-10)21-15(25)22-12-2-1-7-20-9-12/h1-7,9H,8H2,(H2,21,22,25)
InChIKeyLEWKLAPDUCJGBS-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.72
Rot. Bonds4

About 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea

1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea (PubChem CID 146461156) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
PubChem CID146461156
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
SMILESO=C(Nc1ccc(Cc2noc(C(F)(F)F)n2)cc1)Nc1cccnc1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)14-23-13(24-26-14)8-10-3-5-11(6-4-10)21-15(25)22-12-2-1-7-20-9-12/h1-7,9H,8H2,(H2,21,22,25)
InChIKeyLEWKLAPDUCJGBS-UHFFFAOYSA-N
XLogP3.72
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea with MolForge

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Related Compounds

N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 16680997
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
N-(3-methylphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzenecarbothioamide
CID 146461222
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-[(3-fluoro-4-pyridinyl)-methyl-oxo-λ6-sulfanylidene]-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 139370028
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
N-(cyclopropylmethyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461232
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea (CID 146461156) is 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea is O=C(Nc1ccc(Cc2noc(C(F)(F)F)n2)cc1)Nc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea?
The InChIKey is LEWKLAPDUCJGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)14-23-13(24-26-14)8-10-3-5-11(6-4-10)21-15(25)22-12-2-1-7-20-9-12/h1-7,9H,8H2,(H2,21,22,25).
What are the key properties of 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea?
1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea has a molecular weight of 363.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea is sourced from PubChem (CID 146461156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).