4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

C15H12ClN5O3 — CID 781445

IUPAC4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2ccc(C=NNC(=O)c3nonc3N)o2)cc1Cl
InChIInChI=1S/C15H12ClN5O3/c1-8-2-3-9(6-11(8)16)12-5-4-10(23-12)7-18-19-15(22)13-14(17)21-24-20-13/h2-7H,1H3,(H2,17,21)(H,19,22)
InChIKeyHPPNSAANEAWYFT-UHFFFAOYSA-N
MW345.75 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 781445) has the molecular formula C15H12ClN5O3 and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
PubChem CID781445
Molecular FormulaC15H12ClN5O3
Molecular Weight345.75 g/mol
Exact Mass345.06
IUPAC Name4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2ccc(C=NNC(=O)c3nonc3N)o2)cc1Cl
InChIInChI=1S/C15H12ClN5O3/c1-8-2-3-9(6-11(8)16)12-5-4-10(23-12)7-18-19-15(22)13-14(17)21-24-20-13/h2-7H,1H3,(H2,17,21)(H,19,22)
InChIKeyHPPNSAANEAWYFT-UHFFFAOYSA-N
XLogP2.64
TPSA119.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

4-amino-N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 3097054
4-amino-N-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 2244492
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5368165
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126088791
ethyl 5-[5-[(E)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoate
CID 21370945
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000
2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126048390
N-[(2Z,4Z)-1-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 129439642
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
ethyl 4-[[2-[2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 2272375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide (CID 781445) is 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(-c2ccc(C=NNC(=O)c3nonc3N)o2)cc1Cl.
What is the InChIKey of 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HPPNSAANEAWYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3/c1-8-2-3-9(6-11(8)16)12-5-4-10(23-12)7-18-19-15(22)13-14(17)21-24-20-13/h2-7H,1H3,(H2,17,21)(H,19,22).
What are the key properties of 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 345.75 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 781445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).