2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone

C14H23N3O3 — CID 91843623

IUPAC2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
SMILESCC(C)c1cc(CN(C)CC(=O)N2CCOCC2)on1
InChIInChI=1S/C14H23N3O3/c1-11(2)13-8-12(20-15-13)9-16(3)10-14(18)17-4-6-19-7-5-17/h8,11H,4-7,9-10H2,1-3H3
InChIKeyMISRSHLISSPYCE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.09
Rot. Bonds5

About 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone

2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone (PubChem CID 91843623) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
PubChem CID91843623
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
SMILESCC(C)c1cc(CN(C)CC(=O)N2CCOCC2)on1
InChIInChI=1S/C14H23N3O3/c1-11(2)13-8-12(20-15-13)9-16(3)10-14(18)17-4-6-19-7-5-17/h8,11H,4-7,9-10H2,1-3H3
InChIKeyMISRSHLISSPYCE-UHFFFAOYSA-N
XLogP1.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915183
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91834493
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 167882816
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 134033852
2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
CID 78815658
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
CID 60699929
2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 75438432
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone (CID 91843623) is 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone is CC(C)c1cc(CN(C)CC(=O)N2CCOCC2)on1.
What is the InChIKey of 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is MISRSHLISSPYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)13-8-12(20-15-13)9-16(3)10-14(18)17-4-6-19-7-5-17/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 91843623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).