N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C19H17N3O4 — CID 46473887

IUPACN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H17N3O4/c1-20-18(23)12-25-15-9-5-8-14(10-15)21-19(24)17-11-16(22-26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyBOQTVGVMJNSUOH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.72
Rot. Bonds6

About N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 46473887) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID46473887
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H17N3O4/c1-20-18(23)12-25-15-9-5-8-14(10-15)21-19(24)17-11-16(22-26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyBOQTVGVMJNSUOH-UHFFFAOYSA-N
XLogP2.72
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
CID 55644587
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
3-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808072
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 56508067
3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 46472508

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 46473887) is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is CNC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is BOQTVGVMJNSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-20-18(23)12-25-15-9-5-8-14(10-15)21-19(24)17-11-16(22-26-17)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46473887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).