N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C18H20N4O2 — CID 46359553

IUPACN-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1
InChIInChI=1S/C18H20N4O2/c1-23-14-9-5-6-12(10-14)16-15-17(19-11-20-18(15)24-22-16)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,21)
InChIKeyONTCYCJPPDQUFQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.04
Rot. Bonds4

About N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359553) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359553
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1
InChIInChI=1S/C18H20N4O2/c1-23-14-9-5-6-12(10-14)16-15-17(19-11-20-18(15)24-22-16)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,21)
InChIKeyONTCYCJPPDQUFQ-UHFFFAOYSA-N
XLogP4.04
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359565
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619027
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359537
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 90963338
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
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
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359553) is N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1.
What is the InChIKey of N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ONTCYCJPPDQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-14-9-5-6-12(10-14)16-15-17(19-11-20-18(15)24-22-16)21-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 324.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).