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

C14H17ClN2O4 — CID 61495174

IUPAC[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H17ClN2O4/c1-8(2)14-16-12(21-17-14)7-20-13-10(15)4-9(6-18)5-11(13)19-3/h4-5,8,18H,6-7H2,1-3H3
InChIKeyKKZLEXXOLOZJLO-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.93
Rot. Bonds6

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

[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (PubChem CID 61495174) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
PubChem CID61495174
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H17ClN2O4/c1-8(2)14-16-12(21-17-14)7-20-13-10(15)4-9(6-18)5-11(13)19-3/h4-5,8,18H,6-7H2,1-3H3
InChIKeyKKZLEXXOLOZJLO-UHFFFAOYSA-N
XLogP2.93
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61495475
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320682
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 55540151
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (CID 61495174) is [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1nc(C(C)C)no1.
What is the InChIKey of [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The InChIKey is KKZLEXXOLOZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-8(2)14-16-12(21-17-14)7-20-13-10(15)4-9(6-18)5-11(13)19-3/h4-5,8,18H,6-7H2,1-3H3.
What are the key properties of [3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol has a molecular weight of 312.75 g/mol, XLogP of 2.93, 6 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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61495174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).