methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C16H16N2O3 — CID 79714469

IUPACmethyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(C3(c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C16H16N2O3/c1-20-14(19)16(9-10-16)13-17-12(18-21-13)15(7-8-15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyQLMBBYYBUKARTC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.35
Rot. Bonds4

About methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79714469) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79714469
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(C3(c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C16H16N2O3/c1-20-14(19)16(9-10-16)13-17-12(18-21-13)15(7-8-15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyQLMBBYYBUKARTC-UHFFFAOYSA-N
XLogP2.35
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734676
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
methyl 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733484
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433755
3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 55181154
methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734885
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
methyl 1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 116808572
methyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734287
5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 63145065

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79714469) is methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2nc(C3(c4ccccc4)CC3)no2)CC1.
What is the InChIKey of methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is QLMBBYYBUKARTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14(19)16(9-10-16)13-17-12(18-21-13)15(7-8-15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79714469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).