3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H20N6O3 — CID 130273058

IUPAC3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nnc(C(C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)o1
InChIInChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(18-12)17-9(3)13-20-19-10(4)24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,18)
InChIKeyGYHCFZKUTSEBCZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.32
Rot. Bonds5

About 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130273058) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130273058
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nnc(C(C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)o1
InChIInChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(18-12)17-9(3)13-20-19-10(4)24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,18)
InChIKeyGYHCFZKUTSEBCZ-UHFFFAOYSA-N
XLogP2.32
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4S)-3-[2-[[(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479575
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273448
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182
(4S)-3-[2-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489935
3-[2-[[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273074
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
(4S)-4-propan-2-yl-3-[2-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347641
(4S)-3-[2-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347630
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130273058) is 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1nnc(C(C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)o1.
What is the InChIKey of 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GYHCFZKUTSEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-8(2)11-7-23-15(22)21(11)12-5-6-16-14(18-12)17-9(3)13-20-19-10(4)24-13/h5-6,8-9,11H,7H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 332.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130273058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).