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

C16H11ClN4O2 — CID 46359364

IUPAC3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cccc(-c2noc3ncnc(NCc4ccco4)c23)c1
InChIInChI=1S/C16H11ClN4O2/c17-11-4-1-3-10(7-11)14-13-15(18-8-12-5-2-6-22-12)19-9-20-16(13)23-21-14/h1-7,9H,8H2,(H,18,19,20)
InChIKeyPXCZOLUGCZVNHN-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.14
Rot. Bonds4

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

3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359364) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359364
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cccc(-c2noc3ncnc(NCc4ccco4)c23)c1
InChIInChI=1S/C16H11ClN4O2/c17-11-4-1-3-10(7-11)14-13-15(18-8-12-5-2-6-22-12)19-9-20-16(13)23-21-14/h1-7,9H,8H2,(H,18,19,20)
InChIKeyPXCZOLUGCZVNHN-UHFFFAOYSA-N
XLogP4.14
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359688
N-[3-(3-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 46359362
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
N-[(4-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359470
3-(3-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359325
3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92730251
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359472
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359364) is 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Clc1cccc(-c2noc3ncnc(NCc4ccco4)c23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PXCZOLUGCZVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-11-4-1-3-10(7-11)14-13-15(18-8-12-5-2-6-22-12)19-9-20-16(13)23-21-14/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 326.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).