N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide

C20H19N5O5 — CID 55700716

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1
InChIInChI=1S/C20H19N5O5/c1-13-21-19(23-30-13)15-4-2-3-5-17(15)22-20(26)16-12-14(25(27)28)6-7-18(16)24-8-10-29-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyZORCVCWXKINLNV-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 55700716) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID55700716
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1
InChIInChI=1S/C20H19N5O5/c1-13-21-19(23-30-13)15-4-2-3-5-17(15)22-20(26)16-12-14(25(27)28)6-7-18(16)24-8-10-29-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyZORCVCWXKINLNV-UHFFFAOYSA-N
XLogP3.04
TPSA123.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
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N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
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CID 5129401
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095336
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 55700716) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide is Cc1nc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is ZORCVCWXKINLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-13-21-19(23-30-13)15-4-2-3-5-17(15)22-20(26)16-12-14(25(27)28)6-7-18(16)24-8-10-29-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 409.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 55700716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).