(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

C23H27N3O2 — CID 95885384

IUPAC(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C23H27N3O2/c1-17-22(16-26-13-12-19(15-26)25(2)3)24-23(27-17)18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-11,14,19H,12-13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyFOJNSMZCXKQYPD-LJQANCHMSA-N
MW377.49 g/mol
LogP4.58
Rot. Bonds6

About (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 95885384) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID95885384
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C23H27N3O2/c1-17-22(16-26-13-12-19(15-26)25(2)3)24-23(27-17)18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-11,14,19H,12-13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyFOJNSMZCXKQYPD-LJQANCHMSA-N
XLogP4.58
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 26329784
N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 70760923
1-[[(3R)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 28685190
3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42566495
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29124095
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
(4aS,7aS)-6-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 122570370
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (CID 95885384) is (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is FOJNSMZCXKQYPD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(16-26-13-12-19(15-26)25(2)3)24-23(27-17)18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-11,14,19H,12-13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 377.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 95885384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).