5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide

C25H27N5O2 — CID 90969827

IUPAC5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N5O2/c1-15-20(16(2)30(28-15)19-9-7-6-8-10-19)22-21(23(26)32-29-22)24(31)27-18-13-11-17(12-14-18)25(3,4)5/h6-14H,26H2,1-5H3,(H,27,31)
InChIKeySVADUMBLPVLICR-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.28
Rot. Bonds4

About 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide

5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide (PubChem CID 90969827) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide
PubChem CID90969827
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N5O2/c1-15-20(16(2)30(28-15)19-9-7-6-8-10-19)22-21(23(26)32-29-22)24(31)27-18-13-11-17(12-14-18)25(3,4)5/h6-14H,26H2,1-5H3,(H,27,31)
InChIKeySVADUMBLPVLICR-UHFFFAOYSA-N
XLogP5.28
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
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N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
2-[5-[(2-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
CID 175240603
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N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide (CID 90969827) is 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1-c1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is SVADUMBLPVLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-20(16(2)30(28-15)19-9-7-6-8-10-19)22-21(23(26)32-29-22)24(31)27-18-13-11-17(12-14-18)25(3,4)5/h6-14H,26H2,1-5H3,(H,27,31).
What are the key properties of 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide?
5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90969827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).