5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

C15H25N3O3 — CID 53195190

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-11(2)15-17-13(12(3)21-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyKLUAIKDRVHQYJI-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.56
Rot. Bonds6

About 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide

5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 53195190) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID53195190
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-11(2)15-17-13(12(3)21-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyKLUAIKDRVHQYJI-UHFFFAOYSA-N
XLogP1.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.56
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-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide (CID 53195190) is 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KLUAIKDRVHQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(2)15-17-13(12(3)21-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h11H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide?
5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).