N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C15H18N4O4 — CID 30804051

IUPACN-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H18N4O4/c1-3-4-13-17-15(23-18-13)8-7-14(20)16-12-9-11(19(21)22)6-5-10(12)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyVACQKKMCOSKKRQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.81
Rot. Bonds7

About N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30804051) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30804051
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H18N4O4/c1-3-4-13-17-15(23-18-13)8-7-14(20)16-12-9-11(19(21)22)6-5-10(12)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyVACQKKMCOSKKRQ-UHFFFAOYSA-N
XLogP2.81
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.81
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-(2-methyl-5-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354726
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354703
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 75405381
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
N-(2-methoxy-5-nitrophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344201
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-[4-(hydroxymethyl)phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64795052
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)propanamide
CID 3748253

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 30804051) is N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VACQKKMCOSKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-3-4-13-17-15(23-18-13)8-7-14(20)16-12-9-11(19(21)22)6-5-10(12)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 318.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30804051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).