N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C17H21N3O4 — CID 110356862

IUPACN-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCCNC(C)=O)no2)c1
InChIInChI=1S/C17H21N3O4/c1-12(21)18-8-3-4-9-19-17(22)15-11-16(24-20-15)13-6-5-7-14(10-13)23-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKMIQSWHNBAXGEZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.00
Rot. Bonds8

About N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 110356862) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID110356862
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCCNC(C)=O)no2)c1
InChIInChI=1S/C17H21N3O4/c1-12(21)18-8-3-4-9-19-17(22)15-11-16(24-20-15)13-6-5-7-14(10-13)23-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKMIQSWHNBAXGEZ-UHFFFAOYSA-N
XLogP2.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
N-[2-(4-fluorophenyl)-2-oxoethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619541
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 110356862) is N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCCCCNC(C)=O)no2)c1.
What is the InChIKey of N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KMIQSWHNBAXGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(21)18-8-3-4-9-19-17(22)15-11-16(24-20-15)13-6-5-7-14(10-13)23-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110356862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).