3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one

C22H29N3O3 — CID 86280969

IUPAC3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NC[C@H](C)O)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C22H29N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h9-11,13,17,23,26H,4-8,12H2,1-3H3,(H,24,27)/t13-,22?/m0/s1
InChIKeyMYTABVRHXGACGI-JHAYDQECSA-N
MW383.49 g/mol
LogP3.66
Rot. Bonds5

About 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one

3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one (PubChem CID 86280969) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one
PubChem CID86280969
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NC[C@H](C)O)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C22H29N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h9-11,13,17,23,26H,4-8,12H2,1-3H3,(H,24,27)/t13-,22?/m0/s1
InChIKeyMYTABVRHXGACGI-JHAYDQECSA-N
XLogP3.66
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one?
The IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one (CID 86280969) is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one?
The canonical SMILES for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(NC[C@H](C)O)(C1CCCCC1)C(=O)N2.
What is the InChIKey of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one?
The InChIKey is MYTABVRHXGACGI-JHAYDQECSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h9-11,13,17,23,26H,4-8,12H2,1-3H3,(H,24,27)/t13-,22?/m0/s1.
What are the key properties of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one?
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-1H-indol-2-one is sourced from PubChem (CID 86280969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).