3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide

C21H28N4O2 — CID 25265383

IUPAC3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)on1
InChIInChI=1S/C21H28N4O2/c1-14-11-17(24-10-8-18(13-24)25-9-4-5-16(25)3)6-7-19(14)22-21(26)20-12-15(2)23-27-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,26)/t16-,18-/m0/s1
InChIKeyZZHUXSGMUONPBN-WMZOPIPTSA-N
MW368.48 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 25265383) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID25265383
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)on1
InChIInChI=1S/C21H28N4O2/c1-14-11-17(24-10-8-18(13-24)25-9-4-5-16(25)3)6-7-19(14)22-21(26)20-12-15(2)23-27-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,26)/t16-,18-/m0/s1
InChIKeyZZHUXSGMUONPBN-WMZOPIPTSA-N
XLogP3.61
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
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

3,5-dimethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265089
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3,5-dimethyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265090
3,5-dimethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265091
3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265092
3-methyl-N-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 6619782
N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 5309251
N-(3,5-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)isoxazole-3-carboxamide
CID 16027282
N-[1-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 44528363
5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
CID 44528367
5-methyl-N-[1-[1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
CID 44528373

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide (CID 25265383) is 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)on1.
What is the InChIKey of 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZZHUXSGMUONPBN-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-11-17(24-10-8-18(13-24)25-9-4-5-16(25)3)6-7-19(14)22-21(26)20-12-15(2)23-27-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,26)/t16-,18-/m0/s1.
What are the key properties of 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 25265383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).