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

C19H22N4O3 — CID 129328137

IUPAC(1-methylindol-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)c2cccc3c2ccn3C)o1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-20-21-18(26-17)16-11-25-10-9-23(16)19(24)14-5-4-6-15-13(14)7-8-22(15)3/h4-8,12,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyYHIDCQNQPGMRHC-INIZCTEOSA-N
MW354.41 g/mol
LogP2.90
Rot. Bonds3

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

(1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129328137) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129328137
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(1-methylindol-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)c2cccc3c2ccn3C)o1
InChIInChI=1S/C19H22N4O3/c1-12(2)17-20-21-18(26-17)16-11-25-10-9-23(16)19(24)14-5-4-6-15-13(14)7-8-22(15)3/h4-8,12,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyYHIDCQNQPGMRHC-INIZCTEOSA-N
XLogP2.90
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-4-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325882
1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472366
(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
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
(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
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473158
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327442

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129328137) is (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylindol-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)c2cccc3c2ccn3C)o1.
What is the InChIKey of (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is YHIDCQNQPGMRHC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)17-20-21-18(26-17)16-11-25-10-9-23(16)19(24)14-5-4-6-15-13(14)7-8-22(15)3/h4-8,12,16H,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129328137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).