1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C18H20N4O3 — CID 129472366

IUPAC1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3cc[nH]c23)o1
InChIInChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)14-10-24-9-8-22(14)18(23)13-5-3-4-12-6-7-19-15(12)13/h3-7,11,14,19H,8-10H2,1-2H3/t14-/m0/s1
InChIKeyIQVSIRBJZXNTIR-AWEZNQCLSA-N
MW340.38 g/mol
LogP2.89
Rot. Bonds3

About 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129472366) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129472366
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3cc[nH]c23)o1
InChIInChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)14-10-24-9-8-22(14)18(23)13-5-3-4-12-6-7-19-15(12)13/h3-7,11,14,19H,8-10H2,1-2H3/t14-/m0/s1
InChIKeyIQVSIRBJZXNTIR-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129472366) is 1H-indol-7-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-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-7-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)c2cccc3cc[nH]c23)o1.
What is the InChIKey of 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is IQVSIRBJZXNTIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)16-20-21-17(25-16)14-10-24-9-8-22(14)18(23)13-5-3-4-12-6-7-19-15(12)13/h3-7,11,14,19H,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
1H-indol-7-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-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129472366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).