N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C19H32N4O2 — CID 71872516

IUPACN-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCNC2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-15-12-21-19(25-15)14-23(16(2)24)18-8-10-22(13-18)11-9-20-17-6-4-3-5-7-17/h12,17-18,20H,3-11,13-14H2,1-2H3
InChIKeyTYIOESCFMJILEN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.33
Rot. Bonds7

About N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71872516) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71872516
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCNC2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-15-12-21-19(25-15)14-23(16(2)24)18-8-10-22(13-18)11-9-20-17-6-4-3-5-7-17/h12,17-18,20H,3-11,13-14H2,1-2H3
InChIKeyTYIOESCFMJILEN-UHFFFAOYSA-N
XLogP2.33
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide 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-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71872516) is N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(CCNC2CCCCC2)C1.
What is the InChIKey of N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is TYIOESCFMJILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-12-21-19(25-15)14-23(16(2)24)18-8-10-22(13-18)11-9-20-17-6-4-3-5-7-17/h12,17-18,20H,3-11,13-14H2,1-2H3.
What are the key properties of N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71872516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).