4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine

C10H7FN4O — CID 166224803

IUPAC4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine
SMILESFc1cccc2oc(Nc3cn[nH]c3)nc12
InChIInChI=1S/C10H7FN4O/c11-7-2-1-3-8-9(7)15-10(16-8)14-6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyQGJAXIRWTRQTPG-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.43
Rot. Bonds2

About 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine

4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 166224803) has the molecular formula C10H7FN4O and a molecular weight of 218.19 g/mol. Its IUPAC name is 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine
PubChem CID166224803
Molecular FormulaC10H7FN4O
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC Name4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine
SMILESFc1cccc2oc(Nc3cn[nH]c3)nc12
InChIInChI=1S/C10H7FN4O/c11-7-2-1-3-8-9(7)15-10(16-8)14-6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyQGJAXIRWTRQTPG-UHFFFAOYSA-N
XLogP2.43
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 100690013
trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 126790788
7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166214682
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
N-fluoro-1H-pyrazol-4-amine
CID 145171249
(2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]-4-methylpentanoic acid
CID 122049252
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
4-(4-fluoro-1,3-benzoxazol-2-yl)aniline
CID 163367399
2-N-(4-bromo-2-fluorophenyl)-1,3-benzoxazole-2,4-diamine
CID 79890393

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine (CID 166224803) is 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine is Fc1cccc2oc(Nc3cn[nH]c3)nc12.
What is the InChIKey of 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is QGJAXIRWTRQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O/c11-7-2-1-3-8-9(7)15-10(16-8)14-6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine?
4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 218.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166224803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).