3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide

C24H20N6O2 — CID 122300728

IUPAC3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)cn2)c(C)c1C
InChIInChI=1S/C24H20N6O2/c1-14-15(2)28-30(16(14)3)24-25-12-19(13-26-24)27-23(31)18-9-10-21-20(11-18)22(32-29-21)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,27,31)
InChIKeyQOSIGHCDNGNDCG-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.65
Rot. Bonds4

About 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide

3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide (PubChem CID 122300728) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
PubChem CID122300728
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)cn2)c(C)c1C
InChIInChI=1S/C24H20N6O2/c1-14-15(2)28-30(16(14)3)24-25-12-19(13-26-24)27-23(31)18-9-10-21-20(11-18)22(32-29-21)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,27,31)
InChIKeyQOSIGHCDNGNDCG-UHFFFAOYSA-N
XLogP4.65
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
5-pyridin-3-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122300733
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide (CID 122300728) is 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide is Cc1nn(-c2ncc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)cn2)c(C)c1C.
What is the InChIKey of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide?
The InChIKey is QOSIGHCDNGNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-14-15(2)28-30(16(14)3)24-25-12-19(13-26-24)27-23(31)18-9-10-21-20(11-18)22(32-29-21)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,27,31).
What are the key properties of 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide?
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 122300728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).