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

C23H30ClN3O4 — CID 68619677

IUPAC(5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
SMILESCCc1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)no1
InChIInChI=1S/C23H30ClN3O4/c1-3-18-13-22(25-31-18)30-23(28)26(2)14-16-10-20(11-16)29-19-7-6-17(21(24)12-19)15-27-8-4-5-9-27/h6-7,12-13,16,20H,3-5,8-11,14-15H2,1-2H3
InChIKeyTXVYUGYARLBBGV-UHFFFAOYSA-N
MW447.96 g/mol
LogP4.77
Rot. Bonds8

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

(5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate (PubChem CID 68619677) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
PubChem CID68619677
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Name(5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
SMILESCCc1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)no1
InChIInChI=1S/C23H30ClN3O4/c1-3-18-13-22(25-31-18)30-23(28)26(2)14-16-10-20(11-16)29-19-7-6-17(21(24)12-19)15-27-8-4-5-9-27/h6-7,12-13,16,20H,3-5,8-11,14-15H2,1-2H3
InChIKeyTXVYUGYARLBBGV-UHFFFAOYSA-N
XLogP4.77
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-propan-2-yl-1,2-oxazol-5-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
CID 68619474
(5-cyclopropyl-1H-pyrazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
CID 68618197
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,4,5-trimethyl-1,2-oxazole-3-carboxamide
CID 90993702
[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;methylcyclopropane
CID 68619466
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 15985298
3-(2-chlorophenyl)-1-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 15985075
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 68620052
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 91298754
1-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-3-(4-fluorophenyl)-1-methylurea
CID 15985870
methyl 2-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylsulfamoyl]benzoate
CID 68618191
2-chloro-N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 68619360
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylnaphthalene-1-sulfonamide
CID 68633153

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The IUPAC name of (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate (CID 68619677) is (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate.
What is the SMILES notation for (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The canonical SMILES for (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate is CCc1cc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)no1.
What is the InChIKey of (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
The InChIKey is TXVYUGYARLBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-3-18-13-22(25-31-18)30-23(28)26(2)14-16-10-20(11-16)29-19-7-6-17(21(24)12-19)15-27-8-4-5-9-27/h6-7,12-13,16,20H,3-5,8-11,14-15H2,1-2H3.
What are the key properties of (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate?
(5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate has a molecular weight of 447.96 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-oxazol-3-yl) N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 68619677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).