2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C19H25N3O2 — CID 110622231

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2cc(C)on2)N2CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-7-16(8-6-14)18(22-9-3-4-10-22)13-20-19(23)12-17-11-15(2)24-21-17/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeySDSCUIWLHNSHOD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.79
Rot. Bonds6

About 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 110622231) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID110622231
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2cc(C)on2)N2CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-7-16(8-6-14)18(22-9-3-4-10-22)13-20-19(23)12-17-11-15(2)24-21-17/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeySDSCUIWLHNSHOD-UHFFFAOYSA-N
XLogP2.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621758
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980
5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110620748
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 49043891
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 110622231) is 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C(CNC(=O)Cc2cc(C)on2)N2CCCC2)cc1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is SDSCUIWLHNSHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-7-16(8-6-14)18(22-9-3-4-10-22)13-20-19(23)12-17-11-15(2)24-21-17/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 110622231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).