N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

C17H15FN6O2 — CID 51049331

IUPACN-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc2)n1
InChIInChI=1S/C17H15FN6O2/c1-24-22-15(21-23-24)12-5-7-14(8-6-12)20-17(26)16(25)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyBNRVFFNDLONTDN-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.27
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide

N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (PubChem CID 51049331) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
PubChem CID51049331
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
SMILESCn1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc2)n1
InChIInChI=1S/C17H15FN6O2/c1-24-22-15(21-23-24)12-5-7-14(8-6-12)20-17(26)16(25)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyBNRVFFNDLONTDN-UHFFFAOYSA-N
XLogP1.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(cyclopropylmethyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053226
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51053045
N-(1-benzylpiperidin-4-yl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51052796
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
4-[(3-fluorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100763801
N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
CID 67698857
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide (CID 51049331) is N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3cccc(F)c3)cc2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
The InChIKey is BNRVFFNDLONTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-24-22-15(21-23-24)12-5-7-14(8-6-12)20-17(26)16(25)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide?
N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide has a molecular weight of 354.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 51049331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).