N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide

C15H14N6O3 — CID 29452089

IUPACN-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H14N6O3/c22-14(6-7-16-15(23)13-5-2-8-24-13)18-11-3-1-4-12(9-11)21-10-17-19-20-21/h1-5,8-10H,6-7H2,(H,16,23)(H,18,22)
InChIKeyQSKUWMGBDWEUSP-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.01
Rot. Bonds6

About N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide

N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide (PubChem CID 29452089) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
PubChem CID29452089
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H14N6O3/c22-14(6-7-16-15(23)13-5-2-8-24-13)18-11-3-1-4-12(9-11)21-10-17-19-20-21/h1-5,8-10H,6-7H2,(H,16,23)(H,18,22)
InChIKeyQSKUWMGBDWEUSP-UHFFFAOYSA-N
XLogP1.01
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide (CID 29452089) is N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide?
The InChIKey is QSKUWMGBDWEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-14(6-7-16-15(23)13-5-2-8-24-13)18-11-3-1-4-12(9-11)21-10-17-19-20-21/h1-5,8-10H,6-7H2,(H,16,23)(H,18,22).
What are the key properties of N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide is sourced from PubChem (CID 29452089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).