5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

C16H16N4O2 — CID 78876396

IUPAC5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-2-12-8-13(20-19-12)16(21)18-10-15-17-9-14(22-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyMDBZGZHYJNKXJQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.56
Rot. Bonds5

About 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 78876396) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID78876396
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-2-12-8-13(20-19-12)16(21)18-10-15-17-9-14(22-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyMDBZGZHYJNKXJQ-UHFFFAOYSA-N
XLogP2.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 138995343
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86991406
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86980186
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980193
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 78876396) is 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2ncc(-c3ccccc3)o2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MDBZGZHYJNKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-12-8-13(20-19-12)16(21)18-10-15-17-9-14(22-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78876396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).