N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide

C13H20N2O3 — CID 113340602

IUPACN-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C13H20N2O3/c1-5-6-15(7-8-16)13(17)11-10(4)14-18-12(11)9(2)3/h5,9,16H,1,6-8H2,2-4H3
InChIKeyYBYVZNPDKIZQAH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.73
Rot. Bonds6

About N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide

N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide (PubChem CID 113340602) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide
PubChem CID113340602
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C13H20N2O3/c1-5-6-15(7-8-16)13(17)11-10(4)14-18-12(11)9(2)3/h5,9,16H,1,6-8H2,2-4H3
InChIKeyYBYVZNPDKIZQAH-UHFFFAOYSA-N
XLogP1.73
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide (CID 113340602) is N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide is C=CCN(CCO)C(=O)c1c(C)noc1C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide?
The InChIKey is YBYVZNPDKIZQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-6-15(7-8-16)13(17)11-10(4)14-18-12(11)9(2)3/h5,9,16H,1,6-8H2,2-4H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide?
N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 113340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).