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

C25H30N2O3 — CID 26391215

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C
InChIInChI=1S/C25H30N2O3/c1-16-17(2)23(28-4)13-12-19(16)25-26-21(18(3)30-25)15-27-14-8-10-22(27)20-9-6-7-11-24(20)29-5/h6-7,9,11-13,22H,8,10,14-15H2,1-5H3/t22-/m1/s1
InChIKeyIPUWCBRRBBNWTQ-JOCHJYFZSA-N
MW406.53 g/mol
LogP5.62
Rot. Bonds6

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

2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 26391215) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID26391215
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C
InChIInChI=1S/C25H30N2O3/c1-16-17(2)23(28-4)13-12-19(16)25-26-21(18(3)30-25)15-27-14-8-10-22(27)20-9-6-7-11-24(20)29-5/h6-7,9,11-13,22H,8,10,14-15H2,1-5H3/t22-/m1/s1
InChIKeyIPUWCBRRBBNWTQ-JOCHJYFZSA-N
XLogP5.62
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
methyl 4-[4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42244942
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[[2-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45188798
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45179469
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
2-(4-methoxy-2,3-dimethylphenyl)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 26391215) is 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is IPUWCBRRBBNWTQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-16-17(2)23(28-4)13-12-19(16)25-26-21(18(3)30-25)15-27-14-8-10-22(27)20-9-6-7-11-24(20)29-5/h6-7,9,11-13,22H,8,10,14-15H2,1-5H3/t22-/m1/s1.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 406.53 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 26391215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).