N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide

C16H15N7O4 — CID 4846196

IUPACN-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15N7O4/c24-13(9-17-16(26)12-7-4-8-27-12)18-19-14(25)10-23-21-15(20-22-23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,26)(H,18,24)(H,19,25)
InChIKeyFDMCVQFUPLCHAV-UHFFFAOYSA-N
MW369.34 g/mol
LogP-0.49
Rot. Bonds6

About N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide (PubChem CID 4846196) has the molecular formula C16H15N7O4 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
PubChem CID4846196
Molecular FormulaC16H15N7O4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC NameN-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15N7O4/c24-13(9-17-16(26)12-7-4-8-27-12)18-19-14(25)10-23-21-15(20-22-23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,26)(H,18,24)(H,19,25)
InChIKeyFDMCVQFUPLCHAV-UHFFFAOYSA-N
XLogP-0.49
TPSA144.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55460162
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3679950
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide (CID 4846196) is N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The InChIKey is FDMCVQFUPLCHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O4/c24-13(9-17-16(26)12-7-4-8-27-12)18-19-14(25)10-23-21-15(20-22-23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,26)(H,18,24)(H,19,25).
What are the key properties of N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide has a molecular weight of 369.34 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 4846196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).