2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide

C20H21N5O2 — CID 134219269

IUPAC2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide
SMILESCc1noc(CN(N)C(=O)c2cc(-c3ccc(C4CC4)cc3)ccc2N)n1
InChIInChI=1S/C20H21N5O2/c1-12-23-19(27-24-12)11-25(22)20(26)17-10-16(8-9-18(17)21)15-6-4-14(5-7-15)13-2-3-13/h4-10,13H,2-3,11,21-22H2,1H3
InChIKeyNFESSFMLCRYZEC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide

2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide (PubChem CID 134219269) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide
PubChem CID134219269
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide
SMILESCc1noc(CN(N)C(=O)c2cc(-c3ccc(C4CC4)cc3)ccc2N)n1
InChIInChI=1S/C20H21N5O2/c1-12-23-19(27-24-12)11-25(22)20(26)17-10-16(8-9-18(17)21)15-6-4-14(5-7-15)13-2-3-13/h4-10,13H,2-3,11,21-22H2,1H3
InChIKeyNFESSFMLCRYZEC-UHFFFAOYSA-N
XLogP3.02
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 146330630
6-(4-cyclopropylphenyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3-benzotriazin-4-one
CID 70974628
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999
3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 118782158
2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219146
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
4-amino-N,N-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414327
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid
CID 67537467
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide?
The IUPAC name of 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide (CID 134219269) is 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide?
The canonical SMILES for 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide is Cc1noc(CN(N)C(=O)c2cc(-c3ccc(C4CC4)cc3)ccc2N)n1.
What is the InChIKey of 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide?
The InChIKey is NFESSFMLCRYZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-23-19(27-24-12)11-25(22)20(26)17-10-16(8-9-18(17)21)15-6-4-14(5-7-15)13-2-3-13/h4-10,13H,2-3,11,21-22H2,1H3.
What are the key properties of 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide?
2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide has a molecular weight of 363.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyclopropylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzohydrazide is sourced from PubChem (CID 134219269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).