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

C11H17N3O4 — CID 3808934

IUPAC2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCC2CCCO2)co1
InChIInChI=1S/C11H17N3O4/c12-8(5-15)11-14-9(6-18-11)10(16)13-4-7-2-1-3-17-7/h6-8,15H,1-5,12H2,(H,13,16)
InChIKeyDZSUGCUFZHLOTG-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.42
Rot. Bonds5

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

2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3808934) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID3808934
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCC2CCCO2)co1
InChIInChI=1S/C11H17N3O4/c12-8(5-15)11-14-9(6-18-11)10(16)13-4-7-2-1-3-17-7/h6-8,15H,1-5,12H2,(H,13,16)
InChIKeyDZSUGCUFZHLOTG-UHFFFAOYSA-N
XLogP-0.42
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-[[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4569568
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110849530

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 3808934) is 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is NC(CO)c1nc(C(=O)NCC2CCCO2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DZSUGCUFZHLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-8(5-15)11-14-9(6-18-11)10(16)13-4-7-2-1-3-17-7/h6-8,15H,1-5,12H2,(H,13,16).
What are the key properties of 2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.42, 5 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-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3808934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).