[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

C21H18N4O3 — CID 56739075

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C21H18N4O3/c26-21(19-7-6-16(27-19)12-24-11-9-22-14-24)25-10-8-18-17(13-25)20(23-28-18)15-4-2-1-3-5-15/h1-7,9,11,14H,8,10,12-13H2
InChIKeyQMEUBKSYMRNXIF-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.38
Rot. Bonds4

About [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 56739075) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID56739075
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C21H18N4O3/c26-21(19-7-6-16(27-19)12-24-11-9-22-14-24)25-10-8-18-17(13-25)20(23-28-18)15-4-2-1-3-5-15/h1-7,9,11,14H,8,10,12-13H2
InChIKeyQMEUBKSYMRNXIF-UHFFFAOYSA-N
XLogP3.38
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 56739075) is [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCc2onc(-c3ccccc3)c2C1.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QMEUBKSYMRNXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(19-7-6-16(27-19)12-24-11-9-22-14-24)25-10-8-18-17(13-25)20(23-28-18)15-4-2-1-3-5-15/h1-7,9,11,14H,8,10,12-13H2.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 374.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 56739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).