4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid

C14H15N3O5 — CID 56894255

IUPAC4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1
InChIInChI=1S/C14H15N3O5/c18-13(17-5-6-21-12(8-17)14(19)20)11-2-1-10(22-11)7-16-4-3-15-9-16/h1-4,9,12H,5-8H2,(H,19,20)
InChIKeyLQGZHYBFNVYSHO-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.45
Rot. Bonds4

About 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid

4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 56894255) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID56894255
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1
InChIInChI=1S/C14H15N3O5/c18-13(17-5-6-21-12(8-17)14(19)20)11-2-1-10(22-11)7-16-4-3-15-9-16/h1-4,9,12H,5-8H2,(H,19,20)
InChIKeyLQGZHYBFNVYSHO-UHFFFAOYSA-N
XLogP0.45
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid
CID 129415641
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
3-[(3R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]benzoic acid
CID 97207996
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70761131
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 155911109
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70734291
[3-[4-ethyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 46956659
3-[(3S,4R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72913156
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70746608
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70763384
3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579685

Frequently Asked Questions

What is the IUPAC name of 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid (CID 56894255) is 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1.
What is the InChIKey of 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is LQGZHYBFNVYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c18-13(17-5-6-21-12(8-17)14(19)20)11-2-1-10(22-11)7-16-4-3-15-9-16/h1-4,9,12H,5-8H2,(H,19,20).
What are the key properties of 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid?
4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 56894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).