N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C19H19N3O3 — CID 51087247

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N(C)C
InChIInChI=1S/C19H19N3O3/c1-12(19(24)22(2)3)20-18(23)14-9-10-16-15(11-14)17(25-21-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)
InChIKeyBATWTKBRKOBHRS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.70
Rot. Bonds4

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

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 51087247) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID51087247
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N(C)C
InChIInChI=1S/C19H19N3O3/c1-12(19(24)22(2)3)20-18(23)14-9-10-16-15(11-14)17(25-21-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)
InChIKeyBATWTKBRKOBHRS-UHFFFAOYSA-N
XLogP2.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9476685
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
CID 24516885
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
methyl (2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate
CID 9427242

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 51087247) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide is CC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is BATWTKBRKOBHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(19(24)22(2)3)20-18(23)14-9-10-16-15(11-14)17(25-21-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 51087247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).