2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine

C14H16N4O — CID 54881596

IUPAC2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)c3ccn[nH]3)ccc2o1
InChIInChI=1S/C14H16N4O/c1-3-14-17-12-8-10(4-5-13(12)19-14)16-9(2)11-6-7-15-18-11/h4-9,16H,3H2,1-2H3,(H,15,18)
InChIKeyDVEHLUGGBHKIDQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.29
Rot. Bonds4

About 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine

2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 54881596) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID54881596
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)c3ccn[nH]3)ccc2o1
InChIInChI=1S/C14H16N4O/c1-3-14-17-12-8-10(4-5-13(12)19-14)16-9(2)11-6-7-15-18-11/h4-9,16H,3H2,1-2H3,(H,15,18)
InChIKeyDVEHLUGGBHKIDQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (CID 54881596) is 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is CCc1nc2cc(NC(C)c3ccn[nH]3)ccc2o1.
What is the InChIKey of 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is DVEHLUGGBHKIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-14-17-12-8-10(4-5-13(12)19-14)16-9(2)11-6-7-15-18-11/h4-9,16H,3H2,1-2H3,(H,15,18).
What are the key properties of 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 256.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 54881596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).