N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide

C23H26N4O2 — CID 42926471

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1
InChIInChI=1S/C23H26N4O2/c1-16-14-19(10-11-20(16)27-12-6-7-13-27)24-22(18-8-4-3-5-9-18)23(28)25-21-15-17(2)29-26-21/h3-5,8-11,14-15,22,24H,6-7,12-13H2,1-2H3,(H,25,26,28)
InChIKeyGGXSIJRIMJQCHZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.68
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide (PubChem CID 42926471) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide
PubChem CID42926471
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1
InChIInChI=1S/C23H26N4O2/c1-16-14-19(10-11-20(16)27-12-6-7-13-27)24-22(18-8-4-3-5-9-18)23(28)25-21-15-17(2)29-26-21/h3-5,8-11,14-15,22,24H,6-7,12-13H2,1-2H3,(H,25,26,28)
InChIKeyGGXSIJRIMJQCHZ-UHFFFAOYSA-N
XLogP4.68
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
CID 134032590
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 27310592
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556
(2S)-2-[(4-methylcyclohexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 35786341
2-[(1-cyclopropyl-2-oxopiperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 167946019
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanamide
CID 9152457

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide (CID 42926471) is N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide is Cc1cc(NC(=O)C(Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide?
The InChIKey is GGXSIJRIMJQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-19(10-11-20(16)27-12-6-7-13-27)24-22(18-8-4-3-5-9-18)23(28)25-21-15-17(2)29-26-21/h3-5,8-11,14-15,22,24H,6-7,12-13H2,1-2H3,(H,25,26,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide has a molecular weight of 390.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide is sourced from PubChem (CID 42926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).