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

C15H28ClN3O2 — CID 119804379

IUPAC2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
SMILESCCC(CC)c1cc(CNC(=O)C(N)C(C)CC)on1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-5-10(4)14(16)15(19)17-9-12-8-13(18-20-12)11(6-2)7-3;/h8,10-11,14H,5-7,9,16H2,1-4H3,(H,17,19);1H
InChIKeyQIFUEJZNYQABQV-UHFFFAOYSA-N
MW317.86 g/mol
LogP2.99
Rot. Bonds8

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

2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride (PubChem CID 119804379) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
PubChem CID119804379
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
SMILESCCC(CC)c1cc(CNC(=O)C(N)C(C)CC)on1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-5-10(4)14(16)15(19)17-9-12-8-13(18-20-12)11(6-2)7-3;/h8,10-11,14H,5-7,9,16H2,1-4H3,(H,17,19);1H
InChIKeyQIFUEJZNYQABQV-UHFFFAOYSA-N
XLogP2.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
2-methyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111675459
4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 119335443
ethyl 4-[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111511251
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 119804378
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054008

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride (CID 119804379) is 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride is CCC(CC)c1cc(CNC(=O)C(N)C(C)CC)on1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride?
The InChIKey is QIFUEJZNYQABQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-5-10(4)14(16)15(19)17-9-12-8-13(18-20-12)11(6-2)7-3;/h8,10-11,14H,5-7,9,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119804379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).