N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C16H16N2O4 — CID 47024453

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc2cc(C(C)NC(=O)c3cc(C)no3)oc12
InChIInChI=1S/C16H16N2O4/c1-9-7-14(22-18-9)16(19)17-10(2)13-8-11-5-4-6-12(20-3)15(11)21-13/h4-8,10H,1-3H3,(H,17,19)
InChIKeyRSFJFFMQKUESTA-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47024453) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47024453
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc2cc(C(C)NC(=O)c3cc(C)no3)oc12
InChIInChI=1S/C16H16N2O4/c1-9-7-14(22-18-9)16(19)17-10(2)13-8-11-5-4-6-12(20-3)15(11)21-13/h4-8,10H,1-3H3,(H,17,19)
InChIKeyRSFJFFMQKUESTA-UHFFFAOYSA-N
XLogP3.23
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873496
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55885772
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
6-chloro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55589069
N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55589295
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47024453) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1cccc2cc(C(C)NC(=O)c3cc(C)no3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is RSFJFFMQKUESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-7-14(22-18-9)16(19)17-10(2)13-8-11-5-4-6-12(20-3)15(11)21-13/h4-8,10H,1-3H3,(H,17,19).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47024453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).