N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C17H23N3O3 — CID 5309234

IUPACN-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C17H23N3O3/c1-3-20(4-2)11-5-10-18-17(22)15-12-16(23-19-15)13-6-8-14(21)9-7-13/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,22)
InChIKeyHTBMPLIISPZWDH-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.51
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309234) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5309234
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C17H23N3O3/c1-3-20(4-2)11-5-10-18-17(22)15-12-16(23-19-15)13-6-8-14(21)9-7-13/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,22)
InChIKeyHTBMPLIISPZWDH-UHFFFAOYSA-N
XLogP2.51
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 5309234) is N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is CCN(CC)CCCNC(=O)c1cc(-c2ccc(O)cc2)on1.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HTBMPLIISPZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-20(4-2)11-5-10-18-17(22)15-12-16(23-19-15)13-6-8-14(21)9-7-13/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).