(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate

C24H33N3O5 — CID 68620663

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
SMILESCOc1c(CN2CCCC2)cccc1OC1CC(CN(C)C(=O)Oc2c(C)noc2C)C1
InChIInChI=1S/C24H33N3O5/c1-16-22(17(2)32-25-16)31-24(28)26(3)14-18-12-20(13-18)30-21-9-7-8-19(23(21)29-4)15-27-10-5-6-11-27/h7-9,18,20H,5-6,10-15H2,1-4H3
InChIKeyZGTAKCCNVCBCEI-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.18
Rot. Bonds8

About (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate

(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate (PubChem CID 68620663) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
PubChem CID68620663
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
SMILESCOc1c(CN2CCCC2)cccc1OC1CC(CN(C)C(=O)Oc2c(C)noc2C)C1
InChIInChI=1S/C24H33N3O5/c1-16-22(17(2)32-25-16)31-24(28)26(3)14-18-12-20(13-18)30-21-9-7-8-19(23(21)29-4)15-27-10-5-6-11-27/h7-9,18,20H,5-6,10-15H2,1-4H3
InChIKeyZGTAKCCNVCBCEI-UHFFFAOYSA-N
XLogP4.18
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine
CID 68619381
[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;cyclobutane
CID 68620346
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methyl-2-(3-methylpyrazol-1-yl)acetamide
CID 68618704
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-ethyl-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 91365860
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 68618757
3-tert-butyl-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68619027
3-(2-chlorophenyl)-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68619321
3-(4-chlorophenyl)-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68620439
1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 68620366
N-[[3-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1-dimethylcyclopropane-1-carboxamide;hydrochloride
CID 68618876
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 68619212
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate (CID 68620663) is (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate is COc1c(CN2CCCC2)cccc1OC1CC(CN(C)C(=O)Oc2c(C)noc2C)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The InChIKey is ZGTAKCCNVCBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-16-22(17(2)32-25-16)31-24(28)26(3)14-18-12-20(13-18)30-21-9-7-8-19(23(21)29-4)15-27-10-5-6-11-27/h7-9,18,20H,5-6,10-15H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate has a molecular weight of 443.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 68620663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).