5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide

C18H18N4O3S — CID 122190964

IUPAC5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cscn1
InChIInChI=1S/C18H18N4O3S/c23-17(14-10-16(25-22-14)13-6-2-1-3-7-13)19-8-4-5-9-20-18(24)15-11-26-12-21-15/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,23)(H,20,24)
InChIKeyHRUQGTHFIMOKFR-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.74
Rot. Bonds8

About 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide (PubChem CID 122190964) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
PubChem CID122190964
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cscn1
InChIInChI=1S/C18H18N4O3S/c23-17(14-10-16(25-22-14)13-6-2-1-3-7-13)19-8-4-5-9-20-18(24)15-11-26-12-21-15/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,23)(H,20,24)
InChIKeyHRUQGTHFIMOKFR-UHFFFAOYSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide (CID 122190964) is 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide is O=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cscn1.
What is the InChIKey of 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HRUQGTHFIMOKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-17(14-10-16(25-22-14)13-6-2-1-3-7-13)19-8-4-5-9-20-18(24)15-11-26-12-21-15/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,23)(H,20,24).
What are the key properties of 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122190964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).