N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 60509343

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)oc2c1C(=O)CCC2
InChIInChI=1S/C21H22N2O4/c1-11-17-14(24)6-5-7-16(17)26-18(11)19(25)22-12-8-9-15-13(10-12)23-20(27-15)21(2,3)4/h8-10H,5-7H2,1-4H3,(H,22,25)
InChIKeyRUMJMXDUOSFLJG-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.80
Rot. Bonds2

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 60509343) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID60509343
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)oc2c1C(=O)CCC2
InChIInChI=1S/C21H22N2O4/c1-11-17-14(24)6-5-7-16(17)26-18(11)19(25)22-12-8-9-15-13(10-12)23-20(27-15)21(2,3)4/h8-10H,5-7H2,1-4H3,(H,22,25)
InChIKeyRUMJMXDUOSFLJG-UHFFFAOYSA-N
XLogP4.80
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3-methyl-4-oxo-N-(1H-pyrazol-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60506878
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
3-[4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]propanoic acid
CID 71915468
5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 167942849
2-[[3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240889
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 47026770
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51956516
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55966312

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 60509343) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)oc2c1C(=O)CCC2.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is RUMJMXDUOSFLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-11-17-14(24)6-5-7-16(17)26-18(11)19(25)22-12-8-9-15-13(10-12)23-20(27-15)21(2,3)4/h8-10H,5-7H2,1-4H3,(H,22,25).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60509343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).