2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C14H19N3O3 — CID 4524128

IUPAC2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCc2ccco2)co1
InChIInChI=1S/C14H19N3O3/c1-9(2)6-11(15)14-17-12(8-20-14)13(18)16-7-10-4-3-5-19-10/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyHCQNWZAEVMOECR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.24
Rot. Bonds6

About 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 4524128) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID4524128
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCc2ccco2)co1
InChIInChI=1S/C14H19N3O3/c1-9(2)6-11(15)14-17-12(8-20-14)13(18)16-7-10-4-3-5-19-10/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyHCQNWZAEVMOECR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 4524128) is 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is CC(C)CC(N)c1nc(C(=O)NCc2ccco2)co1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HCQNWZAEVMOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)6-11(15)14-17-12(8-20-14)13(18)16-7-10-4-3-5-19-10/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4524128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).