[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol

C14H17ClN2O4 — CID 61495475

IUPAC[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(Cl)cc(CO)cc2OC)no1
InChIInChI=1S/C14H17ClN2O4/c1-3-4-13-16-12(17-21-13)8-20-14-10(15)5-9(7-18)6-11(14)19-2/h5-6,18H,3-4,7-8H2,1-2H3
InChIKeyMZBOKUSMHZEBBK-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.76
Rot. Bonds7

About [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol

[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (PubChem CID 61495475) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
PubChem CID61495475
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(Cl)cc(CO)cc2OC)no1
InChIInChI=1S/C14H17ClN2O4/c1-3-4-13-16-12(17-21-13)8-20-14-10(15)5-9(7-18)6-11(14)19-2/h5-6,18H,3-4,7-8H2,1-2H3
InChIKeyMZBOKUSMHZEBBK-UHFFFAOYSA-N
XLogP2.76
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol with MolForge

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Related Compounds

[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 61495174
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
1-[3-methoxy-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61495603
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]methanamine
CID 61497302
3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (CID 61495475) is [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is CCCc1nc(COc2c(Cl)cc(CO)cc2OC)no1.
What is the InChIKey of [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is MZBOKUSMHZEBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-3-4-13-16-12(17-21-13)8-20-14-10(15)5-9(7-18)6-11(14)19-2/h5-6,18H,3-4,7-8H2,1-2H3.
What are the key properties of [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 312.75 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61495475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).