N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C21H18N4O3 — CID 122302822

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)n1
InChIInChI=1S/C21H18N4O3/c1-12-18(13(2)23-21(22-12)27-3)24-20(26)15-9-10-17-16(11-15)19(28-25-17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,24,26)
InChIKeyREYQDORGHUNIKA-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.16
Rot. Bonds4

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 122302822) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID122302822
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)n1
InChIInChI=1S/C21H18N4O3/c1-12-18(13(2)23-21(22-12)27-3)24-20(26)15-9-10-17-16(11-15)19(28-25-17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,24,26)
InChIKeyREYQDORGHUNIKA-UHFFFAOYSA-N
XLogP4.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,1-benzoxazole-5-carboxamide
CID 36580090
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
3-phenyl-N-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole-6-carboxamide
CID 46354151

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 122302822) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is COc1nc(C)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is REYQDORGHUNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-12-18(13(2)23-21(22-12)27-3)24-20(26)15-9-10-17-16(11-15)19(28-25-17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,24,26).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 122302822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).