1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile

C22H24FN5O2 — CID 130285045

IUPAC1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C3(C#N)CC3)cc2F)n1
InChIInChI=1S/C22H24FN5O2/c1-13(2)18-11-30-21(29)28(18)19-6-9-25-20(27-19)26-14(3)16-5-4-15(10-17(16)23)22(12-24)7-8-22/h4-6,9-10,13-14,18H,7-8,11H2,1-3H3,(H,25,26,27)/t14-,18?/m0/s1
InChIKeyJFXSCMIHLRBCQX-PIVQAISJSA-N
MW409.47 g/mol
LogP4.33
Rot. Bonds6

About 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile

1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 130285045) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile
PubChem CID130285045
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C3(C#N)CC3)cc2F)n1
InChIInChI=1S/C22H24FN5O2/c1-13(2)18-11-30-21(29)28(18)19-6-9-25-20(27-19)26-14(3)16-5-4-15(10-17(16)23)22(12-24)7-8-22/h4-6,9-10,13-14,18H,7-8,11H2,1-3H3,(H,25,26,27)/t14-,18?/m0/s1
InChIKeyJFXSCMIHLRBCQX-PIVQAISJSA-N
XLogP4.33
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

(4S)-3-[2-[[(1S)-1-[2-fluoro-4-(1-methylcyclopropyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542386
3-[2-[[(1S)-1-(2-fluoro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479054
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123835719
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-3-[2-[[(1S)-1-(3-chloro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929002
(4S)-3-[2-[[(1S)-1-[5-(3-tert-butyl-4-fluorophenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 164929005
(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)-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-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile (CID 130285045) is 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile is CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C3(C#N)CC3)cc2F)n1.
What is the InChIKey of 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is JFXSCMIHLRBCQX-PIVQAISJSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13(2)18-11-30-21(29)28(18)19-6-9-25-20(27-19)26-14(3)16-5-4-15(10-17(16)23)22(12-24)7-8-22/h4-6,9-10,13-14,18H,7-8,11H2,1-3H3,(H,25,26,27)/t14-,18?/m0/s1.
What are the key properties of 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile?
1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 409.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130285045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).