N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

C19H20N6O3 — CID 51048872

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn(C)n3)cc2)cc1
InChIInChI=1S/C19H20N6O3/c1-25-23-17(22-24-25)14-5-7-15(8-6-14)21-19(27)18(26)20-12-11-13-3-9-16(28-2)10-4-13/h3-10H,11-12H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUSZFXFGTSRUHDU-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 51048872) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID51048872
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn(C)n3)cc2)cc1
InChIInChI=1S/C19H20N6O3/c1-25-23-17(22-24-25)14-5-7-15(8-6-14)21-19(27)18(26)20-12-11-13-3-9-16(28-2)10-4-13/h3-10H,11-12H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUSZFXFGTSRUHDU-UHFFFAOYSA-N
XLogP1.18
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
N-(3-anilinopropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 52899659
N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 75605546
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51049331
N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
CID 44827461
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053045
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 51048872) is N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn(C)n3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is USZFXFGTSRUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25-23-17(22-24-25)14-5-7-15(8-6-14)21-19(27)18(26)20-12-11-13-3-9-16(28-2)10-4-13/h3-10H,11-12H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 380.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 51048872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).