[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

C19H26N4O4 — CID 70734291

IUPAC[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCOCC(O)(CN2CCCC2)C1
InChIInChI=1S/C19H26N4O4/c24-18(17-4-3-16(27-17)11-22-8-5-20-15-22)23-9-10-26-14-19(25,13-23)12-21-6-1-2-7-21/h3-5,8,15,25H,1-2,6-7,9-14H2
InChIKeyCLOSOAYOJDVQOT-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.82
Rot. Bonds5

About [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 70734291) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID70734291
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCOCC(O)(CN2CCCC2)C1
InChIInChI=1S/C19H26N4O4/c24-18(17-4-3-16(27-17)11-22-8-5-20-15-22)23-9-10-26-14-19(25,13-23)12-21-6-1-2-7-21/h3-5,8,15,25H,1-2,6-7,9-14H2
InChIKeyCLOSOAYOJDVQOT-UHFFFAOYSA-N
XLogP0.82
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70771089
3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579685
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463
2-(1,3-benzodioxol-5-yl)-1-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 70784574
1-[10-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 133068622
(3,5-dimethyl-1,2-oxazol-4-yl)-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 70711267
[(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
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
3-[(3R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]benzoic acid
CID 97207996

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (CID 70734291) is [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCOCC(O)(CN2CCCC2)C1.
What is the InChIKey of [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is CLOSOAYOJDVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-18(17-4-3-16(27-17)11-22-8-5-20-15-22)23-9-10-26-14-19(25,13-23)12-21-6-1-2-7-21/h3-5,8,15,25H,1-2,6-7,9-14H2.
What are the key properties of [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 70734291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).