N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C23H21N3O2 — CID 71895533

IUPACN-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C23H21N3O2/c1-15-13-18(26(2)3)10-12-20(15)24-23(27)17-9-11-21-19(14-17)22(28-25-21)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,27)
InChIKeyDMLHYWKSYGLMPN-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.12
Rot. Bonds4

About N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 71895533) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID71895533
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C23H21N3O2/c1-15-13-18(26(2)3)10-12-20(15)24-23(27)17-9-11-21-19(14-17)22(28-25-21)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,27)
InChIKeyDMLHYWKSYGLMPN-UHFFFAOYSA-N
XLogP5.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51087247
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide
CID 46350548

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 71895533) is N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is DMLHYWKSYGLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-13-18(26(2)3)10-12-20(15)24-23(27)17-9-11-21-19(14-17)22(28-25-21)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,27).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 71895533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).