2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid

C15H14N2O5 — CID 123545327

IUPAC2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CN(Cc2ccco2)Cc2ccco2)o1
InChIInChI=1S/C15H14N2O5/c18-15(19)13-7-16-14(22-13)10-17(8-11-3-1-5-20-11)9-12-4-2-6-21-12/h1-7H,8-10H2,(H,18,19)
InChIKeyGVTLZMAMDWLESK-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.76
Rot. Bonds7

About 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid

2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 123545327) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
PubChem CID123545327
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CN(Cc2ccco2)Cc2ccco2)o1
InChIInChI=1S/C15H14N2O5/c18-15(19)13-7-16-14(22-13)10-17(8-11-3-1-5-20-11)9-12-4-2-6-21-12/h1-7H,8-10H2,(H,18,19)
InChIKeyGVTLZMAMDWLESK-UHFFFAOYSA-N
XLogP2.76
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
CID 164907588
CID 164907588
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
CID 62206025
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 24712766
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
2-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]acetic acid
CID 39424492
2-ethyl-4-[ethyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 77102101

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid (CID 123545327) is 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(CN(Cc2ccco2)Cc2ccco2)o1.
What is the InChIKey of 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is GVTLZMAMDWLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-15(19)13-7-16-14(22-13)10-17(8-11-3-1-5-20-11)9-12-4-2-6-21-12/h1-7H,8-10H2,(H,18,19).
What are the key properties of 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid?
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 123545327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).