N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide

C14H21N3O4 — CID 90649090

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)NCCc1nc(C2CC2)no1
InChIInChI=1S/C14H21N3O4/c18-12(9-19-8-11-2-1-7-20-11)15-6-5-13-16-14(17-21-13)10-3-4-10/h10-11H,1-9H2,(H,15,18)
InChIKeyRCRRUTPEPWMPHG-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.80
Rot. Bonds8

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 90649090) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID90649090
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)NCCc1nc(C2CC2)no1
InChIInChI=1S/C14H21N3O4/c18-12(9-19-8-11-2-1-7-20-11)15-6-5-13-16-14(17-21-13)10-3-4-10/h10-11H,1-9H2,(H,15,18)
InChIKeyRCRRUTPEPWMPHG-UHFFFAOYSA-N
XLogP0.80
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylacetamide
CID 77095090
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407536
2-(azepan-1-yl)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 90648888
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 77092585

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 90649090) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is O=C(COCC1CCCO1)NCCc1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is RCRRUTPEPWMPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-12(9-19-8-11-2-1-7-20-11)15-6-5-13-16-14(17-21-13)10-3-4-10/h10-11H,1-9H2,(H,15,18).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 90649090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).