N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide

C10H17N3O3 — CID 91917636

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)10(14)11-5-4-8-12-9(6-15-3)16-13-8/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyKQYUGNMKVVTQSZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.53
Rot. Bonds6

About N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide (PubChem CID 91917636) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide
PubChem CID91917636
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)10(14)11-5-4-8-12-9(6-15-3)16-13-8/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyKQYUGNMKVVTQSZ-UHFFFAOYSA-N
XLogP0.53
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide (CID 91917636) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide is COCc1nc(CCNC(=O)C(C)C)no1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide?
The InChIKey is KQYUGNMKVVTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)10(14)11-5-4-8-12-9(6-15-3)16-13-8/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide has a molecular weight of 227.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 91917636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).