N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C17H22N2O2 — CID 106701249

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCc1noc(C)c1C(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H22N2O2/c1-10(15-11(2)19-21-12(15)3)18-16-13-8-6-7-9-14(13)20-17(16,4)5/h6-10,16,18H,1-5H3
InChIKeyJXKPXOAFFHCRKC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701249) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701249
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCc1noc(C)c1C(C)NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H22N2O2/c1-10(15-11(2)19-21-12(15)3)18-16-13-8-6-7-9-14(13)20-17(16,4)5/h6-10,16,18H,1-5H3
InChIKeyJXKPXOAFFHCRKC-UHFFFAOYSA-N
XLogP3.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
CID 106700774
N-[1-(2-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700991
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241606
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998955

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701249) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is Cc1noc(C)c1C(C)NC1c2ccccc2OC1(C)C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is JXKPXOAFFHCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(15-11(2)19-21-12(15)3)18-16-13-8-6-7-9-14(13)20-17(16,4)5/h6-10,16,18H,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 286.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).