N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline

C17H18N2O2 — CID 112844139

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline
SMILESCc1ccc(C)c(N(C)Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C17H18N2O2/c1-12-6-7-13(2)15(9-12)19(3)11-14-10-17(21-18-14)16-5-4-8-20-16/h4-10H,11H2,1-3H3
InChIKeyWAAPBVQGHZUNQR-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.19
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline (PubChem CID 112844139) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline
PubChem CID112844139
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline
SMILESCc1ccc(C)c(N(C)Cc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C17H18N2O2/c1-12-6-7-13(2)15(9-12)19(3)11-14-10-17(21-18-14)16-5-4-8-20-16/h4-10H,11H2,1-3H3
InChIKeyWAAPBVQGHZUNQR-UHFFFAOYSA-N
XLogP4.19
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 112797314
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine
CID 114231162
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8694316
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62015350
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313
N-benzyl-N,2,5-trimethylaniline
CID 15439716
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915477

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline (CID 112844139) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline is Cc1ccc(C)c(N(C)Cc2cc(-c3ccco3)on2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline?
The InChIKey is WAAPBVQGHZUNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-6-7-13(2)15(9-12)19(3)11-14-10-17(21-18-14)16-5-4-8-20-16/h4-10H,11H2,1-3H3.
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline has a molecular weight of 282.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline is sourced from PubChem (CID 112844139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).