N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide

C23H21N3O3 — CID 70695416

IUPACN-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(N(C)c3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-24(17-9-5-3-6-10-17)19-13-14-21-20(15-19)26(23(28)29-21)16-22(27)25(2)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3
InChIKeyKFFHEECQYZPVMX-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.03
Rot. Bonds5

About N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide

N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide (PubChem CID 70695416) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide
PubChem CID70695416
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(N(C)c3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-24(17-9-5-3-6-10-17)19-13-14-21-20(15-19)26(23(28)29-21)16-22(27)25(2)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3
InChIKeyKFFHEECQYZPVMX-UHFFFAOYSA-N
XLogP4.03
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
3-[7-[4-(2-Methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzoxazol-2-one
CID 118713687
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 893575
N-(5-Amino-2-methoxy-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 1132695
4-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylbutanamide
CID 4822267
3-(3-(2-methylpiperidin-1-yl)-3-oxopropyl)benzo[d]oxazol-2(3H)-one
CID 24892683
2-(2-Oxo-1,3-benzoxazol-3-yl)acetamide
CID 2062124
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 3669812
N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 4794633
3-[4-(4-phenyl-1-piperazinyl)butyl]-1,3-benzoxazol-2(3H)-one
CID 10521887
N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3(2H)-yl)-N-phenylacetamide
CID 23153804

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide (CID 70695416) is N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(N(C)c3ccccc3)cc21)c1ccccc1.
What is the InChIKey of N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The InChIKey is KFFHEECQYZPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-24(17-9-5-3-6-10-17)19-13-14-21-20(15-19)26(23(28)29-21)16-22(27)25(2)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3.
What are the key properties of N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide?
N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide has a molecular weight of 387.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 70695416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).