3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole

C17H21NO4 — CID 11544000

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole
SMILESCOc1ccc(C2=NOC3COCC23)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c1-19-14-7-6-11(8-15(14)21-12-4-2-3-5-12)17-13-9-20-10-16(13)22-18-17/h6-8,12-13,16H,2-5,9-10H2,1H3
InChIKeyLLUPEFVNSOGXCI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.77
Rot. Bonds4

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole

3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole (PubChem CID 11544000) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole
PubChem CID11544000
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole
SMILESCOc1ccc(C2=NOC3COCC23)cc1OC1CCCC1
InChIInChI=1S/C17H21NO4/c1-19-14-7-6-11(8-15(14)21-12-4-2-3-5-12)17-13-9-20-10-16(13)22-18-17/h6-8,12-13,16H,2-5,9-10H2,1H3
InChIKeyLLUPEFVNSOGXCI-UHFFFAOYSA-N
XLogP2.77
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole with MolForge

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 1236370
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765
3-(3-cyclopentyloxy-4-methoxyphenyl)-7-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 59550970
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
4-(3-cyclopentyloxy-4-methoxyphenyl)-1H-pyridazin-6-one
CID 25133793

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole (CID 11544000) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole is COc1ccc(C2=NOC3COCC23)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole?
The InChIKey is LLUPEFVNSOGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-19-14-7-6-11(8-15(14)21-12-4-2-3-5-12)17-13-9-20-10-16(13)22-18-17/h6-8,12-13,16H,2-5,9-10H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole?
3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole has a molecular weight of 303.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole is sourced from PubChem (CID 11544000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).