3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole

C14H14N2O3 — CID 80643447

IUPAC3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C14H14N2O3/c1-17-9-13-7-11(16-19-13)8-18-12-2-3-14-10(6-12)4-5-15-14/h2-7,15H,8-9H2,1H3
InChIKeyPANIIJNRRLNDME-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.88
Rot. Bonds5

About 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole

3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole (PubChem CID 80643447) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
PubChem CID80643447
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C14H14N2O3/c1-17-9-13-7-11(16-19-13)8-18-12-2-3-14-10(6-12)4-5-15-14/h2-7,15H,8-9H2,1H3
InChIKeyPANIIJNRRLNDME-UHFFFAOYSA-N
XLogP2.88
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
2-chloro-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 106500538
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 79027120
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684852
5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
5-(thiophen-2-ylmethoxy)-1H-indole
CID 18797477
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole (CID 80643447) is 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole is COCc1cc(COc2ccc3[nH]ccc3c2)no1.
What is the InChIKey of 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is PANIIJNRRLNDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-17-9-13-7-11(16-19-13)8-18-12-2-3-14-10(6-12)4-5-15-14/h2-7,15H,8-9H2,1H3.
What are the key properties of 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole?
3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 258.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 80643447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).