1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C18H20N4O3 — CID 129325882

IUPAC1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3[nH]ccc23)o1
InChIInChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)15-10-24-9-8-22(15)18(23)13-4-3-5-14-12(13)6-7-19-14/h3-7,11,15,19H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyDHPBFBPNLLUFMC-HNNXBMFYSA-N
MW340.38 g/mol
LogP2.89
Rot. Bonds3

About 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129325882) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129325882
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3[nH]ccc23)o1
InChIInChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)15-10-24-9-8-22(15)18(23)13-4-3-5-14-12(13)6-7-19-14/h3-7,11,15,19H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyDHPBFBPNLLUFMC-HNNXBMFYSA-N
XLogP2.89
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-4-yl-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128974561
1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472366
(1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328137
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128965632
(6-methyl-3,4-dihydro-2H-pyran-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473120
3,4-dihydro-2H-pyran-5-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472106
[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 128998991
(5-hydroxy-3-pyridinyl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128991419
2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473093
N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 154753445
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473158

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129325882) is 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3[nH]ccc23)o1.
What is the InChIKey of 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is DHPBFBPNLLUFMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)15-10-24-9-8-22(15)18(23)13-4-3-5-14-12(13)6-7-19-14/h3-7,11,15,19H,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129325882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).