N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride

C12H16ClN3O3 — CID 119584815

IUPACN-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccco2)on1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-8(7-13)15(2)12(16)9-6-11(18-14-9)10-4-3-5-17-10;/h3-6,8H,7,13H2,1-2H3;1H
InChIKeyOEQIDRFHTKZXHA-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.78
Rot. Bonds4

About N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119584815) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119584815
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccco2)on1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-8(7-13)15(2)12(16)9-6-11(18-14-9)10-4-3-5-17-10;/h3-6,8H,7,13H2,1-2H3;1H
InChIKeyOEQIDRFHTKZXHA-UHFFFAOYSA-N
XLogP1.78
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 119584981
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119656586
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934
ethyl 2-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 61011978
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
N-(1-aminopropan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119582562
2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119202136
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119584815) is N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(-c2ccco2)on1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is OEQIDRFHTKZXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c1-8(7-13)15(2)12(16)9-6-11(18-14-9)10-4-3-5-17-10;/h3-6,8H,7,13H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119584815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).