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

C19H22N4O2 — CID 47056333

IUPAC1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccccc3)no2)nn1C(C)(C)C
InChIInChI=1S/C19H22N4O2/c1-13-10-17(21-23(13)19(2,3)4)18(24)20-12-15-11-16(22-25-15)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyZLMJNXCOSAFYST-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds4

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

1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 47056333) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID47056333
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccccc3)no2)nn1C(C)(C)C
InChIInChI=1S/C19H22N4O2/c1-13-10-17(21-23(13)19(2,3)4)18(24)20-12-15-11-16(22-25-15)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyZLMJNXCOSAFYST-UHFFFAOYSA-N
XLogP3.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-2-methylpropanoic acid
CID 97324548
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 120828611
ethyl 3-oxo-4-(3-phenyl-1,2-oxazol-5-yl)butanoate
CID 58032908
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 71939914
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 167895771
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 94035417
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (CID 47056333) is 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3ccccc3)no2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZLMJNXCOSAFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-17(21-23(13)19(2,3)4)18(24)20-12-15-11-16(22-25-15)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,20,24).
What are the key properties of 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47056333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).