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

C15H25N3O3 — CID 80711845

IUPACmethyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1nc(C(C)(C)C)no1)C1CCCC1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-16-12(21-17-14)9-18(10-13(19)20-4)11-7-5-6-8-11/h11H,5-10H2,1-4H3
InChIKeyBKJYTTFMKKPNBH-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.28
Rot. Bonds5

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

methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate (PubChem CID 80711845) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate
PubChem CID80711845
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1nc(C(C)(C)C)no1)C1CCCC1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-16-12(21-17-14)9-18(10-13(19)20-4)11-7-5-6-8-11/h11H,5-10H2,1-4H3
InChIKeyBKJYTTFMKKPNBH-UHFFFAOYSA-N
XLogP2.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 80709119
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705553
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656436
tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077840
methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate
CID 47081535
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
CID 71917612
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
CID 115536867
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66247880
methyl (3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79037760
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate (CID 80711845) is methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate is COC(=O)CN(Cc1nc(C(C)(C)C)no1)C1CCCC1.
What is the InChIKey of methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate?
The InChIKey is BKJYTTFMKKPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)14-16-12(21-17-14)9-18(10-13(19)20-4)11-7-5-6-8-11/h11H,5-10H2,1-4H3.
What are the key properties of methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate?
methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate has a molecular weight of 295.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate is sourced from PubChem (CID 80711845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).