N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide

C15H19N3O4 — CID 53195579

IUPACN,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccoc2)oc1C
InChIInChI=1S/C15H19N3O4/c1-4-18(5-2)15(20)13-10(3)22-12(17-13)8-16-14(19)11-6-7-21-9-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyBDYYNBIJXDCPIW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.99
Rot. Bonds6

About N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide

N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195579) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195579
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)c2ccoc2)oc1C
InChIInChI=1S/C15H19N3O4/c1-4-18(5-2)15(20)13-10(3)22-12(17-13)8-16-14(19)11-6-7-21-9-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyBDYYNBIJXDCPIW-UHFFFAOYSA-N
XLogP1.99
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 53195579) is N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNC(=O)c2ccoc2)oc1C.
What is the InChIKey of N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is BDYYNBIJXDCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-18(5-2)15(20)13-10(3)22-12(17-13)8-16-14(19)11-6-7-21-9-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(furan-3-carbonylamino)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).