(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

C13H21N3O3 — CID 126444953

IUPAC(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C13H21N3O3/c1-13(4-3-9-19-13)12(18)16(7-8-17)10-11-14-5-6-15(11)2/h5-6,17H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyOIMJKTZQXMDPNF-CYBMUJFWSA-N
MW267.33 g/mol
LogP0.31
Rot. Bonds5

About (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 126444953) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID126444953
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)[C@@]1(C)CCCO1
InChIInChI=1S/C13H21N3O3/c1-13(4-3-9-19-13)12(18)16(7-8-17)10-11-14-5-6-15(11)2/h5-6,17H,3-4,7-10H2,1-2H3/t13-/m1/s1
InChIKeyOIMJKTZQXMDPNF-CYBMUJFWSA-N
XLogP0.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 126444953) is (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is Cn1ccnc1CN(CCO)C(=O)[C@@]1(C)CCCO1.
What is the InChIKey of (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is OIMJKTZQXMDPNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(4-3-9-19-13)12(18)16(7-8-17)10-11-14-5-6-15(11)2/h5-6,17H,3-4,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 126444953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).