4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol

C13H13ClN2O3 — CID 106503456

IUPAC4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(c1noc(-c2cc(O)ccc2Cl)n1)C1CC1
InChIInChI=1S/C13H13ClN2O3/c1-18-11(7-2-3-7)12-15-13(19-16-12)9-6-8(17)4-5-10(9)14/h4-7,11,17H,2-3H2,1H3
InChIKeyKNLYBHPDZIAYMN-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol

4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503456) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503456
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(c1noc(-c2cc(O)ccc2Cl)n1)C1CC1
InChIInChI=1S/C13H13ClN2O3/c1-18-11(7-2-3-7)12-15-13(19-16-12)9-6-8(17)4-5-10(9)14/h4-7,11,17H,2-3H2,1H3
InChIKeyKNLYBHPDZIAYMN-UHFFFAOYSA-N
XLogP3.19
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503458
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813550
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209288
4-bromo-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703407
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703574
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466
4-chloro-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503397
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
3-[cyclopropyl(methoxy)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116703411
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527338
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 106503456) is 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol is COC(c1noc(-c2cc(O)ccc2Cl)n1)C1CC1.
What is the InChIKey of 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KNLYBHPDZIAYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-11(7-2-3-7)12-15-13(19-16-12)9-6-8(17)4-5-10(9)14/h4-7,11,17H,2-3H2,1H3.
What are the key properties of 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 280.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).