methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate

C14H22N2O3S — CID 107775931

IUPACmethyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCc2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H22N2O3S/c1-13(2,3)12-16-15-10(19-12)8-20-9-14(5-6-14)7-11(17)18-4/h5-9H2,1-4H3
InChIKeyBVPDAPQNLXCHAP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate (PubChem CID 107775931) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
PubChem CID107775931
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCc2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H22N2O3S/c1-13(2,3)12-16-15-10(19-12)8-20-9-14(5-6-14)7-11(17)18-4/h5-9H2,1-4H3
InChIKeyBVPDAPQNLXCHAP-UHFFFAOYSA-N
XLogP2.94
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate with MolForge

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Related Compounds

methyl 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776352
methyl 2-[1-(pyrimidin-2-ylmethylsulfanylmethyl)cyclopropyl]acetate
CID 107776125
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 114000231
methyl 2-[1-[(2-hydroxy-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107775920
methyl 2-[1-[(5-methylfuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107775939
methyl 2-[1-[(5-bromofuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776191
methyl 2-[1-[(3-amino-5-methoxyphenyl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107777364
methyl 2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776286
methyl 2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetate
CID 107776455
methyl 2-[1-(2-fluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107776396
methyl 2-[1-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanylmethyl]cyclopropyl]acetate
CID 107778301
methyl 2-[1-[[4-(trifluoromethyl)phenyl]methylsulfanylmethyl]cyclopropyl]acetate
CID 107775982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate (CID 107775931) is methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCc2nnc(C(C)(C)C)o2)CC1.
What is the InChIKey of methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The InChIKey is BVPDAPQNLXCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-13(2,3)12-16-15-10(19-12)8-20-9-14(5-6-14)7-11(17)18-4/h5-9H2,1-4H3.
What are the key properties of methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate has a molecular weight of 298.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107775931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).