2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide

C15H19N3O3S — CID 3704491

IUPAC2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCCSCc2ccccc2)co1
InChIInChI=1S/C15H19N3O3S/c16-12(8-19)15-18-13(9-21-15)14(20)17-6-7-22-10-11-4-2-1-3-5-11/h1-5,9,12,19H,6-8,10,16H2,(H,17,20)
InChIKeyFMBLTHVMAXKQMK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.33
Rot. Bonds8

About 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3704491) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
PubChem CID3704491
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCCSCc2ccccc2)co1
InChIInChI=1S/C15H19N3O3S/c16-12(8-19)15-18-13(9-21-15)14(20)17-6-7-22-10-11-4-2-1-3-5-11/h1-5,9,12,19H,6-8,10,16H2,(H,17,20)
InChIKeyFMBLTHVMAXKQMK-UHFFFAOYSA-N
XLogP1.33
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
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 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide (CID 3704491) is 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide is NC(CO)c1nc(C(=O)NCCSCc2ccccc2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FMBLTHVMAXKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-12(8-19)15-18-13(9-21-15)14(20)17-6-7-22-10-11-4-2-1-3-5-11/h1-5,9,12,19H,6-8,10,16H2,(H,17,20).
What are the key properties of 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).