N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride

C10H18ClN3O2 — CID 119524175

IUPACN-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)NC(C)(C)CN)o1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6-8(15-7(2)12-6)9(14)13-10(3,4)5-11;/h5,11H2,1-4H3,(H,13,14);1H
InChIKeyRFGXGDVHLKMNBF-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.18
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 119524175) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID119524175
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)NC(C)(C)CN)o1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6-8(15-7(2)12-6)9(14)13-10(3,4)5-11;/h5,11H2,1-4H3,(H,13,14);1H
InChIKeyRFGXGDVHLKMNBF-UHFFFAOYSA-N
XLogP1.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103890787
2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 82416690
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106168237
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103945588
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 81484590
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 99644607
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
N-(2-bromo-4,4-dimethylpentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107156647
N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81478748
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 81362291

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride (CID 119524175) is N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride is Cc1nc(C)c(C(=O)NC(C)(C)CN)o1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is RFGXGDVHLKMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-6-8(15-7(2)12-6)9(14)13-10(3,4)5-11;/h5,11H2,1-4H3,(H,13,14);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119524175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).