N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide

C24H27N3O3 — CID 70760923

IUPACN-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1
InChIInChI=1S/C24H27N3O3/c1-3-25-23(28)19-12-13-27(15-19)16-22-17(2)29-24(26-22)18-8-7-11-21(14-18)30-20-9-5-4-6-10-20/h4-11,14,19H,3,12-13,15-16H2,1-2H3,(H,25,28)
InChIKeyHKUWJTOQQSOFHU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.40
Rot. Bonds7

About N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide

N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 70760923) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID70760923
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1
InChIInChI=1S/C24H27N3O3/c1-3-25-23(28)19-12-13-27(15-19)16-22-17(2)29-24(26-22)18-8-7-11-21(14-18)30-20-9-5-4-6-10-20/h4-11,14,19H,3,12-13,15-16H2,1-2H3,(H,25,28)
InChIKeyHKUWJTOQQSOFHU-UHFFFAOYSA-N
XLogP4.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 95885384
5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 26329784
1-[[(3R)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 28685190
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 54584590
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 20859995
3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42566495
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide (CID 70760923) is N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1.
What is the InChIKey of N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HKUWJTOQQSOFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-25-23(28)19-12-13-27(15-19)16-22-17(2)29-24(26-22)18-8-7-11-21(14-18)30-20-9-5-4-6-10-20/h4-11,14,19H,3,12-13,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70760923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).