[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

C18H29N3O4 — CID 70726176

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC(C(C)N3CCOCC3)CC2)noc1C
InChIInChI=1S/C18H29N3O4/c1-13(20-8-10-24-11-9-20)15-4-6-21(7-5-15)18(22)17-16(12-23-3)14(2)25-19-17/h13,15H,4-12H2,1-3H3
InChIKeyWFQBQUGJAGAREC-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.70
Rot. Bonds5

About [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 70726176) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID70726176
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCOCc1c(C(=O)N2CCC(C(C)N3CCOCC3)CC2)noc1C
InChIInChI=1S/C18H29N3O4/c1-13(20-8-10-24-11-9-20)15-4-6-21(7-5-15)18(22)17-16(12-23-3)14(2)25-19-17/h13,15H,4-12H2,1-3H3
InChIKeyWFQBQUGJAGAREC-UHFFFAOYSA-N
XLogP1.70
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70708987
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 118788925
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-1-methylsulfonyl-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[h][1,4,7]triazecin-8-one
CID 156612276
[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 25287398
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70708295
[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 50957972
ethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-4-carboxylate
CID 19486388
2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
[(1R,9S)-4-ethyl-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-dien-12-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 163336748

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 70726176) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is COCc1c(C(=O)N2CCC(C(C)N3CCOCC3)CC2)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WFQBQUGJAGAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13(20-8-10-24-11-9-20)15-4-6-21(7-5-15)18(22)17-16(12-23-3)14(2)25-19-17/h13,15H,4-12H2,1-3H3.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70726176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).