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

C16H21N3O2 — CID 4791029

IUPACN-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-19(6-2)14-9-7-13(8-10-14)17-16(20)15-11(3)18-21-12(15)4/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyCJPRPDNYKGUZQF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.39
Rot. Bonds5

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

N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 4791029) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID4791029
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-19(6-2)14-9-7-13(8-10-14)17-16(20)15-11(3)18-21-12(15)4/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyCJPRPDNYKGUZQF-UHFFFAOYSA-N
XLogP3.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 4791029) is N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is CJPRPDNYKGUZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19(6-2)14-9-7-13(8-10-14)17-16(20)15-11(3)18-21-12(15)4/h7-10H,5-6H2,1-4H3,(H,17,20).
What are the key properties of N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4791029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).