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

C22H32N2O3 — CID 95079498

IUPAC5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCOc1cc(CN2CCC[C@H]2c2cc(C(C)C)no2)ccc1OCC(C)C
InChIInChI=1S/C22H32N2O3/c1-15(2)14-26-20-9-8-17(11-22(20)25-5)13-24-10-6-7-19(24)21-12-18(16(3)4)23-27-21/h8-9,11-12,15-16,19H,6-7,10,13-14H2,1-5H3/t19-/m0/s1
InChIKeyUAPMNNNWNOIYJI-IBGZPJMESA-N
MW372.51 g/mol
LogP5.18
Rot. Bonds8

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

5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 95079498) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID95079498
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCOc1cc(CN2CCC[C@H]2c2cc(C(C)C)no2)ccc1OCC(C)C
InChIInChI=1S/C22H32N2O3/c1-15(2)14-26-20-9-8-17(11-22(20)25-5)13-24-10-6-7-19(24)21-12-18(16(3)4)23-27-21/h8-9,11-12,15-16,19H,6-7,10,13-14H2,1-5H3/t19-/m0/s1
InChIKeyUAPMNNNWNOIYJI-IBGZPJMESA-N
XLogP5.18
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056291
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-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
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-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079512
2-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070281
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 95079498) is 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is COc1cc(CN2CCC[C@H]2c2cc(C(C)C)no2)ccc1OCC(C)C.
What is the InChIKey of 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is UAPMNNNWNOIYJI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(2)14-26-20-9-8-17(11-22(20)25-5)13-24-10-6-7-19(24)21-12-18(16(3)4)23-27-21/h8-9,11-12,15-16,19H,6-7,10,13-14H2,1-5H3/t19-/m0/s1.
What are the key properties of 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 372.51 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 95079498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).