N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide

C16H16N2O3 — CID 112528579

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3c(C)noc3C)oc2c1
InChIInChI=1S/C16H16N2O3/c1-9-4-5-12-7-15(20-14(12)6-9)16(19)17-8-13-10(2)18-21-11(13)3/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyMCVFJYYHRRUTED-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.28
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 112528579) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
PubChem CID112528579
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3c(C)noc3C)oc2c1
InChIInChI=1S/C16H16N2O3/c1-9-4-5-12-7-15(20-14(12)6-9)16(19)17-8-13-10(2)18-21-11(13)3/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyMCVFJYYHRRUTED-UHFFFAOYSA-N
XLogP3.28
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035994
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide (CID 112528579) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide is Cc1ccc2cc(C(=O)NCc3c(C)noc3C)oc2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MCVFJYYHRRUTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-4-5-12-7-15(20-14(12)6-9)16(19)17-8-13-10(2)18-21-11(13)3/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112528579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).