(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H23N5O2 — CID 89489867

IUPAC(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H23N5O2/c1-12(2)17-11-27-20(26)25(17)18-7-9-22-19(24-18)23-13(3)14-4-5-16-15(10-14)6-8-21-16/h4-10,12-13,17,21H,11H2,1-3H3,(H,22,23,24)/t13?,17-/m1/s1
InChIKeyHDCYDYFBUDMHJR-LRHAYUFXSA-N
MW365.44 g/mol
LogP4.11
Rot. Bonds5

About (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489867) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489867
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H23N5O2/c1-12(2)17-11-27-20(26)25(17)18-7-9-22-19(24-18)23-13(3)14-4-5-16-15(10-14)6-8-21-16/h4-10,12-13,17,21H,11H2,1-3H3,(H,22,23,24)/t13?,17-/m1/s1
InChIKeyHDCYDYFBUDMHJR-LRHAYUFXSA-N
XLogP4.11
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

SR7826
CID 45381385
(4R)-3-[2-[[(1S)-1-[1-[4-(difluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454349
CID 153354202
CID 153354202
3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
CID 11092112
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]purin-8-one
CID 168286384
8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 5133615
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5150023
tert-butyl 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-1-carboxylate
CID 24905185
5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984057
(3S)-4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 25175568
methyl 4-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]piperidine-1-carboxylate
CID 25204216
N-(2-methyl-4-(2-morpholinoethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416019

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489867) is (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc2[nH]ccc2c1.
What is the InChIKey of (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HDCYDYFBUDMHJR-LRHAYUFXSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(2)17-11-27-20(26)25(17)18-7-9-22-19(24-18)23-13(3)14-4-5-16-15(10-14)6-8-21-16/h4-10,12-13,17,21H,11H2,1-3H3,(H,22,23,24)/t13?,17-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 365.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).