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

C13H23ClN4O3 — CID 119697260

IUPAC2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)Nc1cc(C)on1.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-5-8(2)12(14)13(19)17(4)7-11(18)15-10-6-9(3)20-16-10;/h6,8,12H,5,7,14H2,1-4H3,(H,15,16,18);1H
InChIKeyCBXSWCFGZNZKAO-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.18
Rot. Bonds6

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

2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride (PubChem CID 119697260) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
PubChem CID119697260
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC Name2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)Nc1cc(C)on1.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-5-8(2)12(14)13(19)17(4)7-11(18)15-10-6-9(3)20-16-10;/h6,8,12H,5,7,14H2,1-4H3,(H,15,16,18);1H
InChIKeyCBXSWCFGZNZKAO-UHFFFAOYSA-N
XLogP1.18
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
2-amino-N,4-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 60947443
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 93372139
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 120666888
2-butylsulfanyl-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 47066301
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride (CID 119697260) is 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)N(C)CC(=O)Nc1cc(C)on1.Cl.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride?
The InChIKey is CBXSWCFGZNZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-5-8(2)12(14)13(19)17(4)7-11(18)15-10-6-9(3)20-16-10;/h6,8,12H,5,7,14H2,1-4H3,(H,15,16,18);1H.
What are the key properties of 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride?
2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119697260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).