3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one

C20H18ClF3N6O3 — CID 90417333

IUPAC3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1)C(F)(F)F
InChIInChI=1S/C20H18ClF3N6O3/c1-10(20(22,23)24)14-9-32-19(31)30(14)15-7-8-25-18(27-15)26-11(2)17-28-16(29-33-17)12-3-5-13(21)6-4-12/h3-8,10-11,14H,9H2,1-2H3,(H,25,26,27)/t10?,11-,14?/m0/s1
InChIKeyVWTGBFKWGWEASC-CVZZAPKMSA-N
MW482.85 g/mol
LogP4.88
Rot. Bonds6

About 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 90417333) has the molecular formula C20H18ClF3N6O3 and a molecular weight of 482.85 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one
PubChem CID90417333
Molecular FormulaC20H18ClF3N6O3
Molecular Weight482.85 g/mol
Exact Mass482.11
IUPAC Name3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1)C(F)(F)F
InChIInChI=1S/C20H18ClF3N6O3/c1-10(20(22,23)24)14-9-32-19(31)30(14)15-7-8-25-18(27-15)26-11(2)17-28-16(29-33-17)12-3-5-13(21)6-4-12/h3-8,10-11,14H,9H2,1-2H3,(H,25,26,27)/t10?,11-,14?/m0/s1
InChIKeyVWTGBFKWGWEASC-CVZZAPKMSA-N
XLogP4.88
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71541908
(4S)-3-[2-[[(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479018
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
CID 89489907
(4S)-3-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490064
(1S,4R)-2-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-2-azabicyclo[2.2.1]heptan-3-one
CID 90458225
1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 155544473
(4S)-3-[2-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542000
(S)-4-Isopropyl-3-{2-[(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amino]-pyrimidin-4-yl}-oxazolidin-2-one
CID 71542003
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 71542384
3-[6-chloro-2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 71542385
(4S)-3-[2-[1-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89478998
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-fluoropyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89479150

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one (CID 90417333) is 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one is CC(C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1)C(F)(F)F.
What is the InChIKey of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is VWTGBFKWGWEASC-CVZZAPKMSA-N. The full InChI is InChI=1S/C20H18ClF3N6O3/c1-10(20(22,23)24)14-9-32-19(31)30(14)15-7-8-25-18(27-15)26-11(2)17-28-16(29-33-17)12-3-5-13(21)6-4-12/h3-8,10-11,14H,9H2,1-2H3,(H,25,26,27)/t10?,11-,14?/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 482.85 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-(1,1,1-trifluoropropan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90417333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).