N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C12H10N6O5 — CID 5298140

IUPACN-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C12H10N6O5/c19-11(13-6-8-2-1-5-22-8)12-14-9(16-23-12)7-17-4-3-10(15-17)18(20)21/h1-5H,6-7H2,(H,13,19)
InChIKeyNQGNFWKLNJFPSH-UHFFFAOYSA-N
MW318.25 g/mol
LogP0.75
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5298140) has the molecular formula C12H10N6O5 and a molecular weight of 318.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5298140
Molecular FormulaC12H10N6O5
Molecular Weight318.25 g/mol
Exact Mass318.07
IUPAC NameN-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1
InChIInChI=1S/C12H10N6O5/c19-11(13-6-8-2-1-5-22-8)12-14-9(16-23-12)7-17-4-3-10(15-17)18(20)21/h1-5H,6-7H2,(H,13,19)
InChIKeyNQGNFWKLNJFPSH-UHFFFAOYSA-N
XLogP0.75
TPSA142.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299779
N-[2-[(3-methylbenzoyl)amino]ethyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17085012
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083016
N-[2-(furan-2-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084615
3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133730
N-(furan-2-ylmethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 39037115
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765838
[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928541
N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082806
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5298140) is N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccco1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NQGNFWKLNJFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O5/c19-11(13-6-8-2-1-5-22-8)12-14-9(16-23-12)7-17-4-3-10(15-17)18(20)21/h1-5H,6-7H2,(H,13,19).
What are the key properties of N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5298140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).