N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C24H18FN5O3 — CID 22587080

IUPACN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(-n2cnnc2)c1
InChIInChI=1S/C24H18FN5O3/c1-15-6-8-22(20(10-15)30-13-26-27-14-30)32-12-23(31)28-16-7-9-21-19(11-16)29-24(33-21)17-4-2-3-5-18(17)25/h2-11,13-14H,12H2,1H3,(H,28,31)
InChIKeySJROVOWEOXPGFB-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.54
Rot. Bonds6

About N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 22587080) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID22587080
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(-n2cnnc2)c1
InChIInChI=1S/C24H18FN5O3/c1-15-6-8-22(20(10-15)30-13-26-27-14-30)32-12-23(31)28-16-7-9-21-19(11-16)29-24(33-21)17-4-2-3-5-18(17)25/h2-11,13-14H,12H2,1H3,(H,28,31)
InChIKeySJROVOWEOXPGFB-UHFFFAOYSA-N
XLogP4.54
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 834177
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 1017696
2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide
CID 1017698
2-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1017704
N-[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 2211247
N-[2-methyl-5-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 165378796
N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]-2-methoxyethanamine
CID 166556551
US11780845, Example 1280
CID 169284277
5-(4-methoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3591550
4-(4-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)-4H-1,2,4-triazole
CID 56745955
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1267583
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1265011

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 22587080) is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(-n2cnnc2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is SJROVOWEOXPGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-15-6-8-22(20(10-15)30-13-26-27-14-30)32-12-23(31)28-16-7-9-21-19(11-16)29-24(33-21)17-4-2-3-5-18(17)25/h2-11,13-14H,12H2,1H3,(H,28,31).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 443.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 22587080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).