(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C18H24N4O3 — CID 129473486

IUPAC(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)N(C)Cc2ccccc2)o1
InChIInChI=1S/C18H24N4O3/c1-13(21(3)11-15-7-5-4-6-8-15)18(23)22-9-10-24-12-16(22)17-20-19-14(2)25-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyUSOVZLIOUREXAA-CJNGLKHVSA-N
MW344.42 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129473486) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID129473486
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)N(C)Cc2ccccc2)o1
InChIInChI=1S/C18H24N4O3/c1-13(21(3)11-15-7-5-4-6-8-15)18(23)22-9-10-24-12-16(22)17-20-19-14(2)25-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyUSOVZLIOUREXAA-CJNGLKHVSA-N
XLogP1.80
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 129473486) is (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)N(C)Cc2ccccc2)o1.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is USOVZLIOUREXAA-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(21(3)11-15-7-5-4-6-8-15)18(23)22-9-10-24-12-16(22)17-20-19-14(2)25-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129473486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).