2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

C15H19N3O5 — CID 3674321

IUPAC2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C(N)C(C)O)n2)cc1OC
InChIInChI=1S/C15H19N3O5/c1-8(19)13(16)15-18-10(7-23-15)14(20)17-9-4-5-11(21-2)12(6-9)22-3/h4-8,13,19H,16H2,1-3H3,(H,17,20)
InChIKeyLXLKZDZWDSRGTE-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.32
Rot. Bonds6

About 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3674321) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3674321
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C(N)C(C)O)n2)cc1OC
InChIInChI=1S/C15H19N3O5/c1-8(19)13(16)15-18-10(7-23-15)14(20)17-9-4-5-11(21-2)12(6-9)22-3/h4-8,13,19H,16H2,1-3H3,(H,17,20)
InChIKeyLXLKZDZWDSRGTE-UHFFFAOYSA-N
XLogP1.32
TPSA119.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (CID 3674321) is 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2coc(C(N)C(C)O)n2)cc1OC.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LXLKZDZWDSRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-8(19)13(16)15-18-10(7-23-15)14(20)17-9-4-5-11(21-2)12(6-9)22-3/h4-8,13,19H,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).