3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C21H19FN4O3 — CID 20922607

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(N(Cc4ccco4)CC4CCCO4)c23)cc1
InChIInChI=1S/C21H19FN4O3/c22-15-7-5-14(6-8-15)19-18-20(23-13-24-21(18)29-25-19)26(11-16-3-1-9-27-16)12-17-4-2-10-28-17/h1,3,5-9,13,17H,2,4,10-12H2
InChIKeyLOTCLWSVWCQUMB-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922607) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922607
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(N(Cc4ccco4)CC4CCCO4)c23)cc1
InChIInChI=1S/C21H19FN4O3/c22-15-7-5-14(6-8-15)19-18-20(23-13-24-21(18)29-25-19)26(11-16-3-1-9-27-16)12-17-4-2-10-28-17/h1,3,5-9,13,17H,2,4,10-12H2
InChIKeyLOTCLWSVWCQUMB-UHFFFAOYSA-N
XLogP4.20
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922607) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(-c2noc3ncnc(N(Cc4ccco4)CC4CCCO4)c23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LOTCLWSVWCQUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-15-7-5-14(6-8-15)19-18-20(23-13-24-21(18)29-25-19)26(11-16-3-1-9-27-16)12-17-4-2-10-28-17/h1,3,5-9,13,17H,2,4,10-12H2.
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 394.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).