N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine

C19H17FN4O — CID 71892003

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine
SMILESCc1c(C(C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c1-12(22-19-23-17-5-3-4-6-18(17)25-19)16-11-21-24(13(16)2)15-9-7-14(20)8-10-15/h3-12H,1-2H3,(H,22,23)
InChIKeyLEJURLLPFFUNJL-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.63
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine (PubChem CID 71892003) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine
PubChem CID71892003
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine
SMILESCc1c(C(C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c1-12(22-19-23-17-5-3-4-6-18(17)25-19)16-11-21-24(13(16)2)15-9-7-14(20)8-10-15/h3-12H,1-2H3,(H,22,23)
InChIKeyLEJURLLPFFUNJL-UHFFFAOYSA-N
XLogP4.63
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine (CID 71892003) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine is Cc1c(C(C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is LEJURLLPFFUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12(22-19-23-17-5-3-4-6-18(17)25-19)16-11-21-24(13(16)2)15-9-7-14(20)8-10-15/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 336.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71892003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).