2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C15H19NO3 — CID 1236370

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)cc1OC1CCCC1
InChIInChI=1S/C15H19NO3/c1-17-13-7-6-11(15-16-8-9-18-15)10-14(13)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyPUPLJPNJIVWAQN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.79
Rot. Bonds4

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 1236370) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID1236370
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)cc1OC1CCCC1
InChIInChI=1S/C15H19NO3/c1-17-13-7-6-11(15-16-8-9-18-15)10-14(13)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyPUPLJPNJIVWAQN-UHFFFAOYSA-N
XLogP2.79
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 1236370) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2=NCCO2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PUPLJPNJIVWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-17-13-7-6-11(15-16-8-9-18-15)10-14(13)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 261.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 1236370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).