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

C15H27N3O3 — CID 3844290

IUPAC2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1coc(C(N)C(C)O)n1
InChIInChI=1S/C15H27N3O3/c1-4-6-7-11(5-2)8-17-14(20)12-9-21-15(18-12)13(16)10(3)19/h9-11,13,19H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyKCFOYIXDJRKMEO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.00
Rot. Bonds9

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

2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide (PubChem CID 3844290) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
PubChem CID3844290
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1coc(C(N)C(C)O)n1
InChIInChI=1S/C15H27N3O3/c1-4-6-7-11(5-2)8-17-14(20)12-9-21-15(18-12)13(16)10(3)19/h9-11,13,19H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyKCFOYIXDJRKMEO-UHFFFAOYSA-N
XLogP2.00
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 3829164

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide (CID 3844290) is 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide is CCCCC(CC)CNC(=O)c1coc(C(N)C(C)O)n1.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KCFOYIXDJRKMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-6-7-11(5-2)8-17-14(20)12-9-21-15(18-12)13(16)10(3)19/h9-11,13,19H,4-8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3844290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).