methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate

C25H32N2O4 — CID 67197316

IUPACmethyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(CC2=C(C)c3ccc(OCc4nc(CC(C)C)co4)cc3CC2)C1
InChIInChI=1S/C25H32N2O4/c1-16(2)9-21-14-31-24(26-21)15-30-22-7-8-23-17(3)19(6-5-18(23)10-22)11-27-12-20(13-27)25(28)29-4/h7-8,10,14,16,20H,5-6,9,11-13,15H2,1-4H3
InChIKeyRPPOEAWYGYWHML-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.28
Rot. Bonds8

About methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate

methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate (PubChem CID 67197316) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate
PubChem CID67197316
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Namemethyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(CC2=C(C)c3ccc(OCc4nc(CC(C)C)co4)cc3CC2)C1
InChIInChI=1S/C25H32N2O4/c1-16(2)9-21-14-31-24(26-21)15-30-22-7-8-23-17(3)19(6-5-18(23)10-22)11-27-12-20(13-27)25(28)29-4/h7-8,10,14,16,20H,5-6,9,11-13,15H2,1-4H3
InChIKeyRPPOEAWYGYWHML-UHFFFAOYSA-N
XLogP4.28
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate (CID 67197316) is methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(CC2=C(C)c3ccc(OCc4nc(CC(C)C)co4)cc3CC2)C1.
What is the InChIKey of methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate?
The InChIKey is RPPOEAWYGYWHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-16(2)9-21-14-31-24(26-21)15-30-22-7-8-23-17(3)19(6-5-18(23)10-22)11-27-12-20(13-27)25(28)29-4/h7-8,10,14,16,20H,5-6,9,11-13,15H2,1-4H3.
What are the key properties of methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate?
methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 67197316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).