2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol

C19H18N2O3 — CID 143701909

IUPAC2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1ccccc1-c1nc(-c2ccc(OCC3CC3)c(O)c2)no1
InChIInChI=1S/C19H18N2O3/c1-12-4-2-3-5-15(12)19-20-18(21-24-19)14-8-9-17(16(22)10-14)23-11-13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3
InChIKeyKJJQGZYNAPDLMQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.21
Rot. Bonds5

About 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol

2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 143701909) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID143701909
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1ccccc1-c1nc(-c2ccc(OCC3CC3)c(O)c2)no1
InChIInChI=1S/C19H18N2O3/c1-12-4-2-3-5-15(12)19-20-18(21-24-19)14-8-9-17(16(22)10-14)23-11-13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3
InChIKeyKJJQGZYNAPDLMQ-UHFFFAOYSA-N
XLogP4.21
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 143701909) is 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol is Cc1ccccc1-c1nc(-c2ccc(OCC3CC3)c(O)c2)no1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is KJJQGZYNAPDLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-4-2-3-5-15(12)19-20-18(21-24-19)14-8-9-17(16(22)10-14)23-11-13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 322.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 143701909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).