N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide

C16H16N6O4 — CID 2219067

IUPACN-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCCCCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1
InChIInChI=1S/C16H16N6O4/c1-2-3-10-21-19-16(18-20-21)17-15(23)14-9-8-13(26-14)11-6-4-5-7-12(11)22(24)25/h4-9H,2-3,10H2,1H3,(H,17,19,23)
InChIKeyCQSLXNMQQRCMKN-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.89
Rot. Bonds7

About N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 2219067) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID2219067
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC NameN-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCCCCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1
InChIInChI=1S/C16H16N6O4/c1-2-3-10-21-19-16(18-20-21)17-15(23)14-9-8-13(26-14)11-6-4-5-7-12(11)22(24)25/h4-9H,2-3,10H2,1H3,(H,17,19,23)
InChIKeyCQSLXNMQQRCMKN-UHFFFAOYSA-N
XLogP2.89
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 2219067) is N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide is CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is CQSLXNMQQRCMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4/c1-2-3-10-21-19-16(18-20-21)17-15(23)14-9-8-13(26-14)11-6-4-5-7-12(11)22(24)25/h4-9H,2-3,10H2,1H3,(H,17,19,23).
What are the key properties of N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2219067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).