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

C13H20N2O3 — CID 55026114

IUPACN-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H20N2O3/c1-2-3-6-15(7-8-16)13(17)11-9-12(18-14-11)10-4-5-10/h9-10,16H,2-8H2,1H3
InChIKeyCLIOPSZCFCUTNH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.79
Rot. Bonds7

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

N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide (PubChem CID 55026114) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
PubChem CID55026114
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H20N2O3/c1-2-3-6-15(7-8-16)13(17)11-9-12(18-14-11)10-4-5-10/h9-10,16H,2-8H2,1H3
InChIKeyCLIOPSZCFCUTNH-UHFFFAOYSA-N
XLogP1.79
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 115771332
N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157570
N-cyclobutyl-5-cyclopropyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 102867000
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79264559
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
CID 60618706
2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 79265864
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274943

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide (CID 55026114) is N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide is CCCCN(CCO)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CLIOPSZCFCUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-6-15(7-8-16)13(17)11-9-12(18-14-11)10-4-5-10/h9-10,16H,2-8H2,1H3.
What are the key properties of N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).