N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C20H22N4O2 — CID 122145571

IUPACN-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccn3)noc2C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-24(5-2)16-11-9-15(10-12-16)22-20(25)18-14(3)26-23-19(18)17-8-6-7-13-21-17/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyCKLMVKYZXPYHBF-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.14
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 122145571) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID122145571
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(-c3ccccn3)noc2C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-24(5-2)16-11-9-15(10-12-16)22-20(25)18-14(3)26-23-19(18)17-8-6-7-13-21-17/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyCKLMVKYZXPYHBF-UHFFFAOYSA-N
XLogP4.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 122145571) is N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(-c3ccccn3)noc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is CKLMVKYZXPYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-24(5-2)16-11-9-15(10-12-16)22-20(25)18-14(3)26-23-19(18)17-8-6-7-13-21-17/h6-13H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122145571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).