N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H20N2O3 — CID 51103556

IUPACN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C21H20N2O3/c1-14-17(23-21(25-14)15-7-3-2-4-8-15)11-12-22-20(24)19-13-16-9-5-6-10-18(16)26-19/h2-10,19H,11-13H2,1H3,(H,22,24)
InChIKeyYURSRCCSEWIOQK-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51103556) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51103556
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C21H20N2O3/c1-14-17(23-21(25-14)15-7-3-2-4-8-15)11-12-22-20(24)19-13-16-9-5-6-10-18(16)26-19/h2-10,19H,11-13H2,1H3,(H,22,24)
InChIKeyYURSRCCSEWIOQK-UHFFFAOYSA-N
XLogP3.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95294009
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
CID 154880217
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
1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 91578834
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51103556) is N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YURSRCCSEWIOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-17(23-21(25-14)15-7-3-2-4-8-15)11-12-22-20(24)19-13-16-9-5-6-10-18(16)26-19/h2-10,19H,11-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51103556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).