methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol

C19H24N4O4S — CID 144981674

IUPACmethanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol
SMILESCC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.CO.OCc1nncs1
InChIInChI=1S/C15H16N2O2.C3H4N2OS.CH4O/c1-10-7-12(8-10)16-15(18)13-9-14(19-17-13)11-5-3-2-4-6-11;6-1-3-5-4-2-7-3;1-2/h2-6,9-10,12H,7-8H2,1H3,(H,16,18);2,6H,1H2;2H,1H3
InChIKeyNRLBDTYOIRHQQR-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.51
Rot. Bonds4

About methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol

methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol (PubChem CID 144981674) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol.

Molecular Properties

Compound Namemethanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol
PubChem CID144981674
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Namemethanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol
SMILESCC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.CO.OCc1nncs1
InChIInChI=1S/C15H16N2O2.C3H4N2OS.CH4O/c1-10-7-12(8-10)16-15(18)13-9-14(19-17-13)11-5-3-2-4-6-11;6-1-3-5-4-2-7-3;1-2/h2-6,9-10,12H,7-8H2,1H3,(H,16,18);2,6H,1H2;2H,1H3
InChIKeyNRLBDTYOIRHQQR-UHFFFAOYSA-N
XLogP2.51
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol?
The IUPAC name of methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol (CID 144981674) is methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol.
What is the SMILES notation for methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol?
The canonical SMILES for methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol is CC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.CO.OCc1nncs1.
What is the InChIKey of methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol?
The InChIKey is NRLBDTYOIRHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C3H4N2OS.CH4O/c1-10-7-12(8-10)16-15(18)13-9-14(19-17-13)11-5-3-2-4-6-11;6-1-3-5-4-2-7-3;1-2/h2-6,9-10,12H,7-8H2,1H3,(H,16,18);2,6H,1H2;2H,1H3.
What are the key properties of methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol?
methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol has a molecular weight of 404.49 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol is sourced from PubChem (CID 144981674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).