2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide

C17H18N4O2 — CID 75494256

IUPAC2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-3-21-15(9-12(2)20-21)16(22)18-10-14-11-23-17(19-14)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyVUQMADBLGSCACX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.80
Rot. Bonds5

About 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 75494256) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID75494256
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-3-21-15(9-12(2)20-21)16(22)18-10-14-11-23-17(19-14)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyVUQMADBLGSCACX-UHFFFAOYSA-N
XLogP2.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552062
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 154806949
5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782264
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131898045
2-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-dihydroimidazole-4-carboxamide
CID 90649187
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111551838

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide (CID 75494256) is 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is VUQMADBLGSCACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-21-15(9-12(2)20-21)16(22)18-10-14-11-23-17(19-14)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3,(H,18,22).
What are the key properties of 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 75494256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).