2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate

C7H12N4O3 — CID 107911873

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
SMILESCc1nc(CNCCOC(N)=O)no1
InChIInChI=1S/C7H12N4O3/c1-5-10-6(11-14-5)4-9-2-3-13-7(8)12/h9H,2-4H2,1H3,(H2,8,12)
InChIKeyUSGJEDLMHSNACE-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.44
Rot. Bonds5

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate (PubChem CID 107911873) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
PubChem CID107911873
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
SMILESCc1nc(CNCCOC(N)=O)no1
InChIInChI=1S/C7H12N4O3/c1-5-10-6(11-14-5)4-9-2-3-13-7(8)12/h9H,2-4H2,1H3,(H2,8,12)
InChIKeyUSGJEDLMHSNACE-UHFFFAOYSA-N
XLogP-0.44
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate with MolForge

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

Launch Full Analysis

Related Compounds

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
(E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoic acid
CID 106401708
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113225005
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
CID 97226714
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate (CID 107911873) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate is Cc1nc(CNCCOC(N)=O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate?
The InChIKey is USGJEDLMHSNACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-5-10-6(11-14-5)4-9-2-3-13-7(8)12/h9H,2-4H2,1H3,(H2,8,12).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate has a molecular weight of 200.20 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 107911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).