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

C14H16N6O2 — CID 51053226

IUPACN-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C14H16N6O2/c1-20-18-12(17-19-20)10-4-6-11(7-5-10)16-14(22)13(21)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,21)(H,16,22)
InChIKeyWUDUDEAWDGUENB-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.34
Rot. Bonds4

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

N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 51053226) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID51053226
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C14H16N6O2/c1-20-18-12(17-19-20)10-4-6-11(7-5-10)16-14(22)13(21)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,21)(H,16,22)
InChIKeyWUDUDEAWDGUENB-UHFFFAOYSA-N
XLogP0.34
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
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-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51052796
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
CID 58576442
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 163306992
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 51053226) is N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is Cn1nnc(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is WUDUDEAWDGUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-20-18-12(17-19-20)10-4-6-11(7-5-10)16-14(22)13(21)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,21)(H,16,22).
What are the key properties of N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 300.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 51053226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).