1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H25N5O4 — CID 155874442

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2cccn2)CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C18H25N5O4/c1-13-15(14(2)27-21-13)16(24)22-10-5-18(6-11-22,23-9-4-7-20-23)17(25)19-8-12-26-3/h4,7,9H,5-6,8,10-12H2,1-3H3,(H,19,25)
InChIKeyIOMOMNNCEAVMJJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.88
Rot. Bonds6

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155874442) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155874442
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2cccn2)CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C18H25N5O4/c1-13-15(14(2)27-21-13)16(24)22-10-5-18(6-11-22,23-9-4-7-20-23)17(25)19-8-12-26-3/h4,7,9H,5-6,8,10-12H2,1-3H3,(H,19,25)
InChIKeyIOMOMNNCEAVMJJ-UHFFFAOYSA-N
XLogP0.88
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155874442) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is IOMOMNNCEAVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-13-15(14(2)27-21-13)16(24)22-10-5-18(6-11-22,23-9-4-7-20-23)17(25)19-8-12-26-3/h4,7,9H,5-6,8,10-12H2,1-3H3,(H,19,25).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-methoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).