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

C21H30N2O3 — CID 53096311

IUPAC5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCOc1cc(CN2CCCC2c2cc(C(C)C)no2)ccc1OC(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(25-15(3)4)21(11-16)24-5/h8-9,11-12,14-15,18H,6-7,10,13H2,1-5H3
InChIKeyLGHNXKRRQKJCKX-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.93
Rot. Bonds7

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

5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 53096311) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID53096311
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCOc1cc(CN2CCCC2c2cc(C(C)C)no2)ccc1OC(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(25-15(3)4)21(11-16)24-5/h8-9,11-12,14-15,18H,6-7,10,13H2,1-5H3
InChIKeyLGHNXKRRQKJCKX-UHFFFAOYSA-N
XLogP4.93
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056291
5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079498
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641
3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079512
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056191
3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53096286
5-[1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096313
5-[(2R)-1-[[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070247
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 53096311) is 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is COc1cc(CN2CCCC2c2cc(C(C)C)no2)ccc1OC(C)C.
What is the InChIKey of 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is LGHNXKRRQKJCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)17-12-20(26-22-17)18-7-6-10-23(18)13-16-8-9-19(25-15(3)4)21(11-16)24-5/h8-9,11-12,14-15,18H,6-7,10,13H2,1-5H3.
What are the key properties of 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 358.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 53096311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).