5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole

C13H14N2O2 — CID 91283745

IUPAC5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OCC3CC3)cc2)n1
InChIInChI=1S/C13H14N2O2/c1-9-14-13(17-15-9)11-4-6-12(7-5-11)16-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyHBBPBCWPBGUROJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.83
Rot. Bonds4

About 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole

5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 91283745) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID91283745
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OCC3CC3)cc2)n1
InChIInChI=1S/C13H14N2O2/c1-9-14-13(17-15-9)11-4-6-12(7-5-11)16-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyHBBPBCWPBGUROJ-UHFFFAOYSA-N
XLogP2.83
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 144724148
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762967
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
CID 91915171
3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 154880816

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole (CID 91283745) is 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc(OCC3CC3)cc2)n1.
What is the InChIKey of 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HBBPBCWPBGUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-14-13(17-15-9)11-4-6-12(7-5-11)16-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole?
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 91283745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).