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

C13H22N4O4 — CID 3829164

IUPAC2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)NCCN2CCOCC2)co1
InChIInChI=1S/C13H22N4O4/c1-9(18)11(14)13-16-10(8-21-13)12(19)15-2-3-17-4-6-20-7-5-17/h8-9,11,18H,2-7,14H2,1H3,(H,15,19)
InChIKeyLBUIFIRSRJUBAX-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.88
Rot. Bonds6

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

2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3829164) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID3829164
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)NCCN2CCOCC2)co1
InChIInChI=1S/C13H22N4O4/c1-9(18)11(14)13-16-10(8-21-13)12(19)15-2-3-17-4-6-20-7-5-17/h8-9,11,18H,2-7,14H2,1H3,(H,15,19)
InChIKeyLBUIFIRSRJUBAX-UHFFFAOYSA-N
XLogP-0.88
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 5160527
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
CID 3844290
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 3829164) is 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is CC(O)C(N)c1nc(C(=O)NCCN2CCOCC2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LBUIFIRSRJUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-9(18)11(14)13-16-10(8-21-13)12(19)15-2-3-17-4-6-20-7-5-17/h8-9,11,18H,2-7,14H2,1H3,(H,15,19).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of -0.88, 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-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3829164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).