5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

C18H23N3O3 — CID 2227937

IUPAC5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-14-3-5-15(6-4-14)17-13-16(20-24-17)18(22)19-7-2-8-21-9-11-23-12-10-21/h3-6,13H,2,7-12H2,1H3,(H,19,22)
InChIKeyYGKZGNJEWIXYEQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.10
Rot. Bonds6

About 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 2227937) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID2227937
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-14-3-5-15(6-4-14)17-13-16(20-24-17)18(22)19-7-2-8-21-9-11-23-12-10-21/h3-6,13H,2,7-12H2,1H3,(H,19,22)
InChIKeyYGKZGNJEWIXYEQ-UHFFFAOYSA-N
XLogP2.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 2227937) is 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YGKZGNJEWIXYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-3-5-15(6-4-14)17-13-16(20-24-17)18(22)19-7-2-8-21-9-11-23-12-10-21/h3-6,13H,2,7-12H2,1H3,(H,19,22).
What are the key properties of 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2227937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).