5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

C20H19N3O4 — CID 44616140

IUPAC5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCC1CCCO1
InChIInChI=1S/C20H19N3O4/c21-11-17-19(22-12-15-7-4-10-24-15)27-20(23-17)18-9-8-16(26-18)13-25-14-5-2-1-3-6-14/h1-3,5-6,8-9,15,22H,4,7,10,12-13H2
InChIKeyOGMQYHLJKTUTPD-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.98
Rot. Bonds7

About 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 44616140) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID44616140
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCC1CCCO1
InChIInChI=1S/C20H19N3O4/c21-11-17-19(22-12-15-7-4-10-24-15)27-20(23-17)18-9-8-16(26-18)13-25-14-5-2-1-3-6-14/h1-3,5-6,8-9,15,22H,4,7,10,12-13H2
InChIKeyOGMQYHLJKTUTPD-UHFFFAOYSA-N
XLogP3.98
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 44616140) is 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OGMQYHLJKTUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c21-11-17-19(22-12-15-7-4-10-24-15)27-20(23-17)18-9-8-16(26-18)13-25-14-5-2-1-3-6-14/h1-3,5-6,8-9,15,22H,4,7,10,12-13H2.
What are the key properties of 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).