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

C22H22N4O4 — CID 50806148

IUPACN-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1noc2ncnc(N(Cc3ccco3)CC3CCCO3)c12
InChIInChI=1S/C22H22N4O4/c1-27-18-9-3-2-8-17(18)20-19-21(23-14-24-22(19)30-25-20)26(12-15-6-4-10-28-15)13-16-7-5-11-29-16/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3
InChIKeyZOKLKFBLOQXKLZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.07
Rot. Bonds7

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

N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 50806148) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID50806148
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1-c1noc2ncnc(N(Cc3ccco3)CC3CCCO3)c12
InChIInChI=1S/C22H22N4O4/c1-27-18-9-3-2-8-17(18)20-19-21(23-14-24-22(19)30-25-20)26(12-15-6-4-10-28-15)13-16-7-5-11-29-16/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3
InChIKeyZOKLKFBLOQXKLZ-UHFFFAOYSA-N
XLogP4.07
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(furan-2-ylmethyl)-6-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 3234796
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682
1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 51699860
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 93110082
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585103
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92726579
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 50806148) is N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1ccccc1-c1noc2ncnc(N(Cc3ccco3)CC3CCCO3)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZOKLKFBLOQXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-27-18-9-3-2-8-17(18)20-19-21(23-14-24-22(19)30-25-20)26(12-15-6-4-10-28-15)13-16-7-5-11-29-16/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 406.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).