N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide

C22H18N2O4 — CID 23153804

IUPACN-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Oc3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-23(16-8-4-2-5-9-16)21(25)15-24-19-14-18(12-13-20(19)28-22(24)26)27-17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyVHLAFFNVOXGYEO-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.05
Rot. Bonds5

About N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide

N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide (PubChem CID 23153804) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide
PubChem CID23153804
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Oc3ccccc3)cc21)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-23(16-8-4-2-5-9-16)21(25)15-24-19-14-18(12-13-20(19)28-22(24)26)27-17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyVHLAFFNVOXGYEO-UHFFFAOYSA-N
XLogP4.05
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Fenoxedil
CID 71731
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
N-methyl-2-[5-(N-methylanilino)-2-oxo-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70695416
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 893575
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
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 24809576
2-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25259177
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606456
2-[(3R)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606518
2-[(2R)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606520
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 57606558

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide (CID 23153804) is N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(Oc3ccccc3)cc21)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The InChIKey is VHLAFFNVOXGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-23(16-8-4-2-5-9-16)21(25)15-24-19-14-18(12-13-20(19)28-22(24)26)27-17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide has a molecular weight of 374.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 23153804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).