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

C13H16N6O3 — CID 75605546

IUPACN-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C13H16N6O3/c1-8(20)7-14-12(21)13(22)15-10-5-3-9(4-6-10)11-16-18-19(2)17-11/h3-6,8,20H,7H2,1-2H3,(H,14,21)(H,15,22)
InChIKeyPVWCWHYGQMUKJQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.69
Rot. Bonds4

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

N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 75605546) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID75605546
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC NameN-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C13H16N6O3/c1-8(20)7-14-12(21)13(22)15-10-5-3-9(4-6-10)11-16-18-19(2)17-11/h3-6,8,20H,7H2,1-2H3,(H,14,21)(H,15,22)
InChIKeyPVWCWHYGQMUKJQ-UHFFFAOYSA-N
XLogP-0.69
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053226
N-(3-anilinopropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 52899659
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053045
N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51049331
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697
N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51052796
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
CID 84794333
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 75605546) is N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is CC(O)CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is PVWCWHYGQMUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3/c1-8(20)7-14-12(21)13(22)15-10-5-3-9(4-6-10)11-16-18-19(2)17-11/h3-6,8,20H,7H2,1-2H3,(H,14,21)(H,15,22).
What are the key properties of N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 304.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 75605546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).