N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

C27H27N3O3 — CID 17462096

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1
InChIInChI=1S/C27H27N3O3/c1-30(2)24(19-13-15-21(32-3)16-14-19)17-28-26(31)22-11-7-8-12-23(22)27-29-18-25(33-27)20-9-5-4-6-10-20/h4-16,18,24H,17H2,1-3H3,(H,28,31)
InChIKeyKNUQPYSUSIYRQG-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.05
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 17462096) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID17462096
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1
InChIInChI=1S/C27H27N3O3/c1-30(2)24(19-13-15-21(32-3)16-14-19)17-28-26(31)22-11-7-8-12-23(22)27-29-18-25(33-27)20-9-5-4-6-10-20/h4-16,18,24H,17H2,1-3H3,(H,28,31)
InChIKeyKNUQPYSUSIYRQG-UHFFFAOYSA-N
XLogP5.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 17462096) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is COc1ccc(C(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is KNUQPYSUSIYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-30(2)24(19-13-15-21(32-3)16-14-19)17-28-26(31)22-11-7-8-12-23(22)27-29-18-25(33-27)20-9-5-4-6-10-20/h4-16,18,24H,17H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 441.53 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 17462096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).