N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane

C14H25N3O2 — CID 142624838

IUPACN-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane
SMILESCC.Cc1noc(C2CC2)c1N(C)CCN(C)C=O
InChIInChI=1S/C12H19N3O2.C2H6/c1-9-11(12(17-13-9)10-4-5-10)15(3)7-6-14(2)8-16;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeySQMNUDCYFODOTH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane

N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane (PubChem CID 142624838) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane
PubChem CID142624838
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane
SMILESCC.Cc1noc(C2CC2)c1N(C)CCN(C)C=O
InChIInChI=1S/C12H19N3O2.C2H6/c1-9-11(12(17-13-9)10-4-5-10)15(3)7-6-14(2)8-16;1-2/h8,10H,4-7H2,1-3H3;1-2H3
InChIKeySQMNUDCYFODOTH-UHFFFAOYSA-N
XLogP2.41
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane 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-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane?
The IUPAC name of N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane (CID 142624838) is N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane.
What is the SMILES notation for N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane?
The canonical SMILES for N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane is CC.Cc1noc(C2CC2)c1N(C)CCN(C)C=O.
What is the InChIKey of N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane?
The InChIKey is SQMNUDCYFODOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C2H6/c1-9-11(12(17-13-9)10-4-5-10)15(3)7-6-14(2)8-16;1-2/h8,10H,4-7H2,1-3H3;1-2H3.
What are the key properties of N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane?
N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane has a molecular weight of 267.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-methylamino]ethyl]-N-methylformamide;ethane is sourced from PubChem (CID 142624838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).