6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide

C14H8FN5O3 — CID 167969035

IUPAC6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cc2n[nH]nc2cc1F
InChIInChI=1S/C14H8FN5O3/c15-7-5-11-10(18-20-19-11)4-6(7)13(21)16-8-2-1-3-9-12(8)23-14(22)17-9/h1-5H,(H,16,21)(H,17,22)(H,18,19,20)
InChIKeyYXYCSIASJUORRS-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.78
Rot. Bonds2

About 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide

6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 167969035) has the molecular formula C14H8FN5O3 and a molecular weight of 313.25 g/mol. Its IUPAC name is 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
PubChem CID167969035
Molecular FormulaC14H8FN5O3
Molecular Weight313.25 g/mol
Exact Mass313.06
IUPAC Name6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cc2n[nH]nc2cc1F
InChIInChI=1S/C14H8FN5O3/c15-7-5-11-10(18-20-19-11)4-6(7)13(21)16-8-2-1-3-9-12(8)23-14(22)17-9/h1-5H,(H,16,21)(H,17,22)(H,18,19,20)
InChIKeyYXYCSIASJUORRS-UHFFFAOYSA-N
XLogP1.78
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
1-(2-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 167973002
6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 110350578
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522739
1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide
CID 167847799
2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2-[4-(trifluoromethyl)phenyl]acetic acid
CID 159954292
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
5-morpholin-4-ylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-7-yl)furan-2-carboxamide
CID 112522783

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide (CID 167969035) is 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide is O=C(Nc1cccc2[nH]c(=O)oc12)c1cc2n[nH]nc2cc1F.
What is the InChIKey of 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is YXYCSIASJUORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5O3/c15-7-5-11-10(18-20-19-11)4-6(7)13(21)16-8-2-1-3-9-12(8)23-14(22)17-9/h1-5H,(H,16,21)(H,17,22)(H,18,19,20).
What are the key properties of 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide?
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 313.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 167969035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).