5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole

C18H23N5O — CID 126934112

IUPAC5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
SMILESCc1cncnc1N1CC2CN(Cc3cc(C4CC4)on3)CC2C1
InChIInChI=1S/C18H23N5O/c1-12-5-19-11-20-18(12)23-8-14-6-22(7-15(14)9-23)10-16-4-17(24-21-16)13-2-3-13/h4-5,11,13-15H,2-3,6-10H2,1H3
InChIKeyURTHTTYDUMUSND-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.22
Rot. Bonds4

About 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole (PubChem CID 126934112) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
PubChem CID126934112
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
SMILESCc1cncnc1N1CC2CN(Cc3cc(C4CC4)on3)CC2C1
InChIInChI=1S/C18H23N5O/c1-12-5-19-11-20-18(12)23-8-14-6-22(7-15(14)9-23)10-16-4-17(24-21-16)13-2-3-13/h4-5,11,13-15H,2-3,6-10H2,1H3
InChIKeyURTHTTYDUMUSND-UHFFFAOYSA-N
XLogP2.22
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

5-cyclopropyl-2-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934092
3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,5-oxadiazole
CID 126934065
5-cyclopropyl-3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
CID 126931839
2-methyl-4-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934088
5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126934111
2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934119
5-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 126933959
2-(cyclohexylmethyl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933958
2-methyl-5-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3,4-thiadiazole
CID 126934063
5-(5-methylpyrimidin-4-yl)-2-(2-pyrrolidin-1-ylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933952
2-(2-cyclopropylpyrimidin-4-yl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934158

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole (CID 126934112) is 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole is Cc1cncnc1N1CC2CN(Cc3cc(C4CC4)on3)CC2C1.
What is the InChIKey of 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole?
The InChIKey is URTHTTYDUMUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-5-19-11-20-18(12)23-8-14-6-22(7-15(14)9-23)10-16-4-17(24-21-16)13-2-3-13/h4-5,11,13-15H,2-3,6-10H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole has a molecular weight of 325.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126934112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).