4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C22H23N7O4 — CID 90415967

IUPAC4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)O)n1)c1nc(-c2ccc3ccn(C)c3c2)no1
InChIInChI=1S/C22H23N7O4/c1-12(20-26-19(27-33-20)15-5-4-14-7-9-28(3)16(14)10-15)24-21-23-8-6-18(25-21)29-17(13(2)30)11-32-22(29)31/h4-10,12-13,17,30H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17?/m0/s1
InChIKeyHGCRGOJZYKVSGJ-YORJJWTOSA-N
MW449.47 g/mol
LogP2.90
Rot. Bonds6

About 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90415967) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90415967
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)O)n1)c1nc(-c2ccc3ccn(C)c3c2)no1
InChIInChI=1S/C22H23N7O4/c1-12(20-26-19(27-33-20)15-5-4-14-7-9-28(3)16(14)10-15)24-21-23-8-6-18(25-21)29-17(13(2)30)11-32-22(29)31/h4-10,12-13,17,30H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17?/m0/s1
InChIKeyHGCRGOJZYKVSGJ-YORJJWTOSA-N
XLogP2.90
TPSA131.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90415967) is 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)O)n1)c1nc(-c2ccc3ccn(C)c3c2)no1.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is HGCRGOJZYKVSGJ-YORJJWTOSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-12(20-26-19(27-33-20)15-5-4-14-7-9-28(3)16(14)10-15)24-21-23-8-6-18(25-21)29-17(13(2)30)11-32-22(29)31/h4-10,12-13,17,30H,11H2,1-3H3,(H,23,24,25)/t12-,13+,17?/m0/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 449.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[3-(1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90415967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).