(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide

C18H18N4O3 — CID 136587113

IUPAC(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ccon2)c1
InChIInChI=1S/C18H18N4O3/c1-22-8-7-19-17(22)16-14(5-9-24-16)18(23)20-13-4-2-3-12(11-13)15-6-10-25-21-15/h2-4,6-8,10-11,14,16H,5,9H2,1H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyDLJAWNLWPARMRD-GDBMZVCRSA-N
MW338.37 g/mol
LogP2.79
Rot. Bonds4

About (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide

(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide (PubChem CID 136587113) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
PubChem CID136587113
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ccon2)c1
InChIInChI=1S/C18H18N4O3/c1-22-8-7-19-17(22)16-14(5-9-24-16)18(23)20-13-4-2-3-12(11-13)15-6-10-25-21-15/h2-4,6-8,10-11,14,16H,5,9H2,1H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyDLJAWNLWPARMRD-GDBMZVCRSA-N
XLogP2.79
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide (CID 136587113) is (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ccon2)c1.
What is the InChIKey of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is DLJAWNLWPARMRD-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-8-7-19-17(22)16-14(5-9-24-16)18(23)20-13-4-2-3-12(11-13)15-6-10-25-21-15/h2-4,6-8,10-11,14,16H,5,9H2,1H3,(H,20,23)/t14-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide?
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 136587113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).