5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

C18H19N3O3S — CID 44574177

IUPAC5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCCc1cc(CO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H19N3O3S/c22-11-14-10-15(24-21-14)8-4-5-9-17(23)20-18-19-16(12-25-18)13-6-2-1-3-7-13/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,19,20,23)
InChIKeyMHNQHJJKXMFDIY-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.64
Rot. Bonds8

About 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 44574177) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
PubChem CID44574177
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCCc1cc(CO)no1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H19N3O3S/c22-11-14-10-15(24-21-14)8-4-5-9-17(23)20-18-19-16(12-25-18)13-6-2-1-3-7-13/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,19,20,23)
InChIKeyMHNQHJJKXMFDIY-UHFFFAOYSA-N
XLogP3.64
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.64
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-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (CID 44574177) is 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is O=C(CCCCc1cc(CO)no1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is MHNQHJJKXMFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-11-14-10-15(24-21-14)8-4-5-9-17(23)20-18-19-16(12-25-18)13-6-2-1-3-7-13/h1-3,6-7,10,12,22H,4-5,8-9,11H2,(H,19,20,23).
What are the key properties of 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 357.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 44574177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).