2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride

C13H21ClN4O3 — CID 119697251

IUPAC2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN(C)C(=O)CNCC2CC2)no1.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-9-5-11(16-20-9)15-12(18)8-17(2)13(19)7-14-6-10-3-4-10;/h5,10,14H,3-4,6-8H2,1-2H3,(H,15,16,18);1H
InChIKeyULEJVWQUYBEKNB-UHFFFAOYSA-N
MW316.79 g/mol
LogP0.80
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119697251) has the molecular formula C13H21ClN4O3 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
PubChem CID119697251
Molecular FormulaC13H21ClN4O3
Molecular Weight316.79 g/mol
Exact Mass316.13
IUPAC Name2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN(C)C(=O)CNCC2CC2)no1.Cl
InChIInChI=1S/C13H20N4O3.ClH/c1-9-5-11(16-20-9)15-12(18)8-17(2)13(19)7-14-6-10-3-4-10;/h5,10,14H,3-4,6-8H2,1-2H3,(H,15,16,18);1H
InChIKeyULEJVWQUYBEKNB-UHFFFAOYSA-N
XLogP0.80
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride 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

4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79529652
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
3-(cyclopropylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 60946463
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 51267331
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119275400
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]adamantane-2-carboxamide
CID 51267576

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride (CID 119697251) is 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride is Cc1cc(NC(=O)CN(C)C(=O)CNCC2CC2)no1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is ULEJVWQUYBEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.ClH/c1-9-5-11(16-20-9)15-12(18)8-17(2)13(19)7-14-6-10-3-4-10;/h5,10,14H,3-4,6-8H2,1-2H3,(H,15,16,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119697251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).