3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

C16H15NO3 — CID 112797314

IUPAC3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3
InChIKeyFUKCDTZVRILZLE-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.13
Rot. Bonds4

About 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 112797314) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID112797314
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3
InChIKeyFUKCDTZVRILZLE-UHFFFAOYSA-N
XLogP4.13
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313
3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 9354046
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N,2,5-trimethylaniline
CID 112844139
5-(furan-2-yl)-3-[(2-methoxy-5-methylphenyl)methylsulfinylmethyl]-1,2-oxazole
CID 42891337
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
CID 134569096
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019172

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (CID 112797314) is 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is Cc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is FUKCDTZVRILZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 112797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).