(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H18N2O3 — CID 95294009

IUPAC(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O3/c23-19(18-12-15-8-4-5-9-17(15)25-18)21-11-10-16-13-24-20(22-16)14-6-2-1-3-7-14/h1-9,13,18H,10-12H2,(H,21,23)/t18-/m1/s1
InChIKeySUKFHLOCOJRLTG-GOSISDBHSA-N
MW334.38 g/mol
LogP3.00
Rot. Bonds5

About (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95294009) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95294009
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O3/c23-19(18-12-15-8-4-5-9-17(15)25-18)21-11-10-16-13-24-20(22-16)14-6-2-1-3-7-14/h1-9,13,18H,10-12H2,(H,21,23)/t18-/m1/s1
InChIKeySUKFHLOCOJRLTG-GOSISDBHSA-N
XLogP3.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51103556
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111950568
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95294009) is (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCc1coc(-c2ccccc2)n1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SUKFHLOCOJRLTG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(18-12-15-8-4-5-9-17(15)25-18)21-11-10-16-13-24-20(22-16)14-6-2-1-3-7-14/h1-9,13,18H,10-12H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95294009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).