3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

C18H24N2O2 — CID 92732564

IUPAC3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCOc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1
InChIInChI=1S/C18H24N2O2/c1-13(2)18-11-16(19-22-18)17-5-4-10-20(17)12-14-6-8-15(21-3)9-7-14/h6-9,11,13,17H,4-5,10,12H2,1-3H3/t17-/m1/s1
InChIKeyDICNETMFCNVHMU-QGZVFWFLSA-N
MW300.40 g/mol
LogP4.14
Rot. Bonds5

About 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 92732564) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID92732564
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCOc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1
InChIInChI=1S/C18H24N2O2/c1-13(2)18-11-16(19-22-18)17-5-4-10-20(17)12-14-6-8-15(21-3)9-7-14/h6-9,11,13,17H,4-5,10,12H2,1-3H3/t17-/m1/s1
InChIKeyDICNETMFCNVHMU-QGZVFWFLSA-N
XLogP4.14
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732456
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
5-methoxy-2-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732084
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
4-[[2-methoxy-5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]morpholine
CID 92732122
4-[[2-methoxy-5-[[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methyl]morpholine
CID 92732123
3-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732335
3-[1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809513
5-methyl-3-[1-[(4-propan-2-yloxyphenyl)methyl]azepan-2-yl]-1,2-oxazole
CID 110220454
3-[(2R)-1-[[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732130
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 92732564) is 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1.
What is the InChIKey of 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is DICNETMFCNVHMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)18-11-16(19-22-18)17-5-4-10-20(17)12-14-6-8-15(21-3)9-7-14/h6-9,11,13,17H,4-5,10,12H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 300.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92732564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).