N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine

C22H16N4O3 — CID 60535421

IUPACN-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine
SMILESO=[N+]([O-])c1cccc(-c2noc(CNc3ccc4c(c3)Cc3ccccc3-4)n2)c1
InChIInChI=1S/C22H16N4O3/c27-26(28)18-6-3-5-15(12-18)22-24-21(29-25-22)13-23-17-8-9-20-16(11-17)10-14-4-1-2-7-19(14)20/h1-9,11-12,23H,10,13H2
InChIKeyVUTFVRDBNMKRJE-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.83
Rot. Bonds5

About N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine

N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine (PubChem CID 60535421) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine
PubChem CID60535421
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine
SMILESO=[N+]([O-])c1cccc(-c2noc(CNc3ccc4c(c3)Cc3ccccc3-4)n2)c1
InChIInChI=1S/C22H16N4O3/c27-26(28)18-6-3-5-15(12-18)22-24-21(29-25-22)13-23-17-8-9-20-16(11-17)10-14-4-1-2-7-19(14)20/h1-9,11-12,23H,10,13H2
InChIKeyVUTFVRDBNMKRJE-UHFFFAOYSA-N
XLogP4.83
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitroaniline
CID 51224596
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CID 60835770
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91635012
N-ethyl-N-[[3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]methyl]acetamide
CID 87028979
ethyl (E)-3-[4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]prop-2-enoate
CID 52702881
N-(2-methylpropyl)-3-(3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62595787
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43525389
N-ethyl-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 47046033
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 39073389
1-methoxy-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344715

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine?
The IUPAC name of N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine (CID 60535421) is N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine.
What is the SMILES notation for N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine?
The canonical SMILES for N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine is O=[N+]([O-])c1cccc(-c2noc(CNc3ccc4c(c3)Cc3ccccc3-4)n2)c1.
What is the InChIKey of N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine?
The InChIKey is VUTFVRDBNMKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-26(28)18-6-3-5-15(12-18)22-24-21(29-25-22)13-23-17-8-9-20-16(11-17)10-14-4-1-2-7-19(14)20/h1-9,11-12,23H,10,13H2.
What are the key properties of N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine?
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine has a molecular weight of 384.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluoren-2-amine is sourced from PubChem (CID 60535421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).