N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide

C19H16N4O2 — CID 42111277

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H16N4O2/c1-2-23-16(11-12-20-23)18(24)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-17(15)25-19/h3-12H,2H2,1H3,(H,21,24)
InChIKeyOLRIOPUKFBWZAM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.96
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 42111277) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID42111277
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H16N4O2/c1-2-23-16(11-12-20-23)18(24)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-17(15)25-19/h3-12H,2H2,1H3,(H,21,24)
InChIKeyOLRIOPUKFBWZAM-UHFFFAOYSA-N
XLogP3.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide (CID 42111277) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is OLRIOPUKFBWZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-23-16(11-12-20-23)18(24)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-17(15)25-19/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 42111277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).