[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H26N2O4 — CID 78825962

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H26N2O4/c1-14(2)11-22-9-10-24-17(12-22)13-25-20(23)18-15(3)26-21-19(18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
InChIKeyPKJLQYXHQMRXRH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.16
Rot. Bonds6

About [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 78825962) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID78825962
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H26N2O4/c1-14(2)11-22-9-10-24-17(12-22)13-25-20(23)18-15(3)26-21-19(18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
InChIKeyPKJLQYXHQMRXRH-UHFFFAOYSA-N
XLogP3.16
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380725
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
CID 78830796
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847596
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847500
2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24642445
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291240
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505279
[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 78831849
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847492

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 78825962) is [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC1CN(CC(C)C)CCO1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is PKJLQYXHQMRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)11-22-9-10-24-17(12-22)13-25-20(23)18-15(3)26-21-19(18)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 78825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).