N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide

C12H10N4O3 — CID 112522739

IUPACN-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C12H10N4O3/c17-10(6-7-4-5-13-16-7)14-8-2-1-3-9-11(8)19-12(18)15-9/h1-5H,6H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyNMXGPLONBNRBBZ-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.03
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide

N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 112522739) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID112522739
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C12H10N4O3/c17-10(6-7-4-5-13-16-7)14-8-2-1-3-9-11(8)19-12(18)15-9/h1-5H,6H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyNMXGPLONBNRBBZ-UHFFFAOYSA-N
XLogP1.03
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide (CID 112522739) is N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)Nc1cccc2[nH]c(=O)oc12.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is NMXGPLONBNRBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10(6-7-4-5-13-16-7)14-8-2-1-3-9-11(8)19-12(18)15-9/h1-5H,6H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide?
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 258.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112522739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).