1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole

C17H23N3O2 — CID 95140379

IUPAC1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(C(C)C)nc1[C@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-12(2)16-18-17(15-10-6-7-11-22-15)20(19-16)13-8-4-5-9-14(13)21-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyAHNQQOFHQIPLEP-OAHLLOKOSA-N
MW301.39 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole

1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole (PubChem CID 95140379) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
PubChem CID95140379
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(C(C)C)nc1[C@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-12(2)16-18-17(15-10-6-7-11-22-15)20(19-16)13-8-4-5-9-14(13)21-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyAHNQQOFHQIPLEP-OAHLLOKOSA-N
XLogP3.64
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole (CID 95140379) is 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole is COc1ccccc1-n1nc(C(C)C)nc1[C@H]1CCCCO1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole?
The InChIKey is AHNQQOFHQIPLEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16-18-17(15-10-6-7-11-22-15)20(19-16)13-8-4-5-9-14(13)21-3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole?
1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole has a molecular weight of 301.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 95140379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).