3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride

C10H18ClN3O2 — CID 120829752

IUPAC3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6(11-4)5-12-10(14)9-7(2)13-15-8(9)3;/h6,11H,5H2,1-4H3,(H,12,14);1H
InChIKeyNNGZUBCACNMYMF-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.05
Rot. Bonds4

About 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride

3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 120829752) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID120829752
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6(11-4)5-12-10(14)9-7(2)13-15-8(9)3;/h6,11H,5H2,1-4H3,(H,12,14);1H
InChIKeyNNGZUBCACNMYMF-UHFFFAOYSA-N
XLogP1.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97313575
N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 139007746
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride (CID 120829752) is 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1c(C)noc1C.Cl.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is NNGZUBCACNMYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-6(11-4)5-12-10(14)9-7(2)13-15-8(9)3;/h6,11H,5H2,1-4H3,(H,12,14);1H.
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride?
3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)propyl]-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120829752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).