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

C17H14N4O2 — CID 46359688

IUPACN-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2noc3ncnc(NCc4ccco4)c23)cc1
InChIInChI=1S/C17H14N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeySXQBPZNFFVTLNA-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.80
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359688) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359688
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2noc3ncnc(NCc4ccco4)c23)cc1
InChIInChI=1S/C17H14N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeySXQBPZNFFVTLNA-UHFFFAOYSA-N
XLogP3.80
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359364
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 6404722
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922589
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359688) is N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(-c2noc3ncnc(NCc4ccco4)c23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SXQBPZNFFVTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-4-6-12(7-5-11)15-14-16(18-9-13-3-2-8-22-13)19-10-20-17(14)23-21-15/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).