(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide

C15H18N2O3 — CID 96997193

IUPAC(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)[C@@H]3OCC[C@H]3C)ccc2o1
InChIInChI=1S/C15H18N2O3/c1-3-13-17-11-8-10(4-5-12(11)20-13)16-15(18)14-9(2)6-7-19-14/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,16,18)/t9-,14-/m1/s1
InChIKeyAOQOYXJUFQGLSY-YMTOWFKASA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds3

About (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide

(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide (PubChem CID 96997193) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
PubChem CID96997193
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
SMILESCCc1nc2cc(NC(=O)[C@@H]3OCC[C@H]3C)ccc2o1
InChIInChI=1S/C15H18N2O3/c1-3-13-17-11-8-10(4-5-12(11)20-13)16-15(18)14-9(2)6-7-19-14/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,16,18)/t9-,14-/m1/s1
InChIKeyAOQOYXJUFQGLSY-YMTOWFKASA-N
XLogP2.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
CID 66265019
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 127934447
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide (CID 96997193) is (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide is CCc1nc2cc(NC(=O)[C@@H]3OCC[C@H]3C)ccc2o1.
What is the InChIKey of (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is AOQOYXJUFQGLSY-YMTOWFKASA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-13-17-11-8-10(4-5-12(11)20-13)16-15(18)14-9(2)6-7-19-14/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,16,18)/t9-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide?
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 96997193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).