N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H20N2O4 — CID 66157570

IUPACN-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(COC)on1
InChIInChI=1S/C12H20N2O4/c1-3-4-5-14(6-7-15)12(16)11-8-10(9-17-2)18-13-11/h8,15H,3-7,9H2,1-2H3
InChIKeyPTPRKLATNNCQQZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.06
Rot. Bonds8

About N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66157570) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66157570
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(COC)on1
InChIInChI=1S/C12H20N2O4/c1-3-4-5-14(6-7-15)12(16)11-8-10(9-17-2)18-13-11/h8,15H,3-7,9H2,1-2H3
InChIKeyPTPRKLATNNCQQZ-UHFFFAOYSA-N
XLogP1.06
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 55026114
N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 77113397
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 80666209
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
5-(methoxymethyl)-N-propyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106610655
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66157570) is N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is CCCCN(CCO)C(=O)c1cc(COC)on1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PTPRKLATNNCQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-4-5-14(6-7-15)12(16)11-8-10(9-17-2)18-13-11/h8,15H,3-7,9H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).