N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride

C10H16ClN3O2 — CID 119617392

IUPACN-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(CN)C2CC2)on1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-6-4-9(15-13-6)10(14)12-8(5-11)7-2-3-7;/h4,7-8H,2-3,5,11H2,1H3,(H,12,14);1H
InChIKeyBJCNPVBBOJUFLS-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.87
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119617392) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119617392
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(CN)C2CC2)on1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-6-4-9(15-13-6)10(14)12-8(5-11)7-2-3-7;/h4,7-8H,2-3,5,11H2,1H3,(H,12,14);1H
InChIKeyBJCNPVBBOJUFLS-UHFFFAOYSA-N
XLogP0.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride (CID 119617392) is N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride is Cc1cc(C(=O)NC(CN)C2CC2)on1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is BJCNPVBBOJUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-6-4-9(15-13-6)10(14)12-8(5-11)7-2-3-7;/h4,7-8H,2-3,5,11H2,1H3,(H,12,14);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119617392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).