N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H18N4O5 — CID 17354703

IUPACN-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H18N4O5/c1-12-3-5-13(6-4-12)19-21-18(28-22-19)10-9-17(24)20-15-8-7-14(23(25)26)11-16(15)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyZPPXNJWMWOGKKI-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.53
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 17354703) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID17354703
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H18N4O5/c1-12-3-5-13(6-4-12)19-21-18(28-22-19)10-9-17(24)20-15-8-7-14(23(25)26)11-16(15)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyZPPXNJWMWOGKKI-UHFFFAOYSA-N
XLogP3.53
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxy-4-nitrophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
CID 8708602
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)propanamide
CID 3748253
N-(2-methoxy-5-nitrophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344201
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 9087269
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55502869
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
N-(2-methoxy-5-nitrophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51314321
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 17354703) is N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZPPXNJWMWOGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-3-5-13(6-4-12)19-21-18(28-22-19)10-9-17(24)20-15-8-7-14(23(25)26)11-16(15)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 382.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 17354703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).