[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

C17H22N4O3 — CID 56758928

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)noc1C
InChIInChI=1S/C17H22N4O3/c1-10(2)5-15-18-6-12-7-21(8-14(12)19-15)17(22)16-13(9-23-4)11(3)24-20-16/h6,10H,5,7-9H2,1-4H3
InChIKeyUUFGCGDNTBRRAR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.27
Rot. Bonds5

About [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 56758928) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID56758928
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCOCc1c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)noc1C
InChIInChI=1S/C17H22N4O3/c1-10(2)5-15-18-6-12-7-21(8-14(12)19-15)17(22)16-13(9-23-4)11(3)24-20-16/h6,10H,5,7-9H2,1-4H3
InChIKeyUUFGCGDNTBRRAR-UHFFFAOYSA-N
XLogP2.27
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 70745499
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-4-(methoxymethyl)-5-methyl-3-isoxazolecarboxamide
CID 91923221
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 91923175
N-[2-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)ethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 124039606
[4-(Methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(9-propyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)methanone
CID 124049361
[4-(Methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(9-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)methanone
CID 124049471
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone
CID 164639628
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129001125
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129339487
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129339488
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 136565949
[6-(5-fluoropyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 177804693

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 56758928) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is COCc1c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is UUFGCGDNTBRRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)5-15-18-6-12-7-21(8-14(12)19-15)17(22)16-13(9-23-4)11(3)24-20-16/h6,10H,5,7-9H2,1-4H3.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 56758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).