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

C15H18N2O2 — CID 106701083

IUPAC2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCc1cc(CNC2c3ccccc3OC2(C)C)no1
InChIInChI=1S/C15H18N2O2/c1-10-8-11(17-19-10)9-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-8,14,16H,9H2,1-3H3
InChIKeyCPZXCILCYRPEFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.98
Rot. Bonds3

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

2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine (PubChem CID 106701083) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
PubChem CID106701083
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCc1cc(CNC2c3ccccc3OC2(C)C)no1
InChIInChI=1S/C15H18N2O2/c1-10-8-11(17-19-10)9-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-8,14,16H,9H2,1-3H3
InChIKeyCPZXCILCYRPEFG-UHFFFAOYSA-N
XLogP2.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
CID 82821354
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701037
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701041
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
N-[(2,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701159
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
3,3,5,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexan-1-amine
CID 112682066
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine (CID 106701083) is 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine is Cc1cc(CNC2c3ccccc3OC2(C)C)no1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine?
The InChIKey is CPZXCILCYRPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-11(17-19-10)9-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-8,14,16H,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).