N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C14H19N3O3 — CID 119571702

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H19N3O3/c1-3-14(4-2,9-15)16-13(18)10-8-12(20-17-10)11-6-5-7-19-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyVKBZCYMGYPOZQJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.18
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 119571702) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID119571702
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H19N3O3/c1-3-14(4-2,9-15)16-13(18)10-8-12(20-17-10)11-6-5-7-19-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyVKBZCYMGYPOZQJ-UHFFFAOYSA-N
XLogP2.18
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119570935
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 62042847
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119656586
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 119571702) is N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCC(CC)(CN)NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VKBZCYMGYPOZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-14(4-2,9-15)16-13(18)10-8-12(20-17-10)11-6-5-7-19-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119571702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).