N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

C14H18N6O3 — CID 51053045

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NC(C)(C)CO)cc2)n1
InChIInChI=1S/C14H18N6O3/c1-14(2,8-21)16-13(23)12(22)15-10-6-4-9(5-7-10)11-17-19-20(3)18-11/h4-7,21H,8H2,1-3H3,(H,15,22)(H,16,23)
InChIKeyZLWNKNJFPRSBLX-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.30
Rot. Bonds4

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 51053045) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID51053045
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NC(C)(C)CO)cc2)n1
InChIInChI=1S/C14H18N6O3/c1-14(2,8-21)16-13(23)12(22)15-10-6-4-9(5-7-10)11-17-19-20(3)18-11/h4-7,21H,8H2,1-3H3,(H,15,22)(H,16,23)
InChIKeyZLWNKNJFPRSBLX-UHFFFAOYSA-N
XLogP-0.30
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.30
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-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 75605546
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-[(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-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51052796
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide
CID 39353331
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996302
4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one
CID 22087183

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 51053045) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is Cn1nnc(-c2ccc(NC(=O)C(=O)NC(C)(C)CO)cc2)n1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is ZLWNKNJFPRSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-14(2,8-21)16-13(23)12(22)15-10-6-4-9(5-7-10)11-17-19-20(3)18-11/h4-7,21H,8H2,1-3H3,(H,15,22)(H,16,23).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 318.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 51053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).