4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole

C13H15N3O2 — CID 95127690

IUPAC4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
SMILESc1cc(-n2cnnc2)ccc1OC[C@H]1CCCO1
InChIInChI=1S/C13H15N3O2/c1-2-13(17-7-1)8-18-12-5-3-11(4-6-12)16-9-14-15-10-16/h3-6,9-10,13H,1-2,7-8H2/t13-/m1/s1
InChIKeyPHCVPWDBJGYKRS-CYBMUJFWSA-N
MW245.28 g/mol
LogP1.83
Rot. Bonds4

About 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole

4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole (PubChem CID 95127690) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
PubChem CID95127690
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
SMILESc1cc(-n2cnnc2)ccc1OC[C@H]1CCCO1
InChIInChI=1S/C13H15N3O2/c1-2-13(17-7-1)8-18-12-5-3-11(4-6-12)16-9-14-15-10-16/h3-6,9-10,13H,1-2,7-8H2/t13-/m1/s1
InChIKeyPHCVPWDBJGYKRS-CYBMUJFWSA-N
XLogP1.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
CID 54799656
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
5-oxo-1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 54792469
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole?
The IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole (CID 95127690) is 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole?
The canonical SMILES for 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole is c1cc(-n2cnnc2)ccc1OC[C@H]1CCCO1.
What is the InChIKey of 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole?
The InChIKey is PHCVPWDBJGYKRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-13(17-7-1)8-18-12-5-3-11(4-6-12)16-9-14-15-10-16/h3-6,9-10,13H,1-2,7-8H2/t13-/m1/s1.
What are the key properties of 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole?
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole has a molecular weight of 245.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole is sourced from PubChem (CID 95127690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).