1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone

C18H25N3O2 — CID 71867393

IUPAC1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
SMILESCc1noc(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C18H25N3O2/c1-11-8-16(13(3)21(11)15-6-7-15)18(22)10-20(5)9-17-12(2)19-23-14(17)4/h8,15H,6-7,9-10H2,1-5H3
InChIKeyICTVDHMTSPXYDM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.36
Rot. Bonds6

About 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone (PubChem CID 71867393) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
PubChem CID71867393
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
SMILESCc1noc(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C18H25N3O2/c1-11-8-16(13(3)21(11)15-6-7-15)18(22)10-20(5)9-17-12(2)19-23-14(17)4/h8,15H,6-7,9-10H2,1-5H3
InChIKeyICTVDHMTSPXYDM-UHFFFAOYSA-N
XLogP3.36
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
CID 86983921
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682237
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-methylbutan-1-one
CID 82493930
1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethanone
CID 18094455
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110655106
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87013783
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 17437501
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91835412
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2,6-dimethylanilino)ethanone
CID 110654437
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672678

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone (CID 71867393) is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone is Cc1noc(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
The InChIKey is ICTVDHMTSPXYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-8-16(13(3)21(11)15-6-7-15)18(22)10-20(5)9-17-12(2)19-23-14(17)4/h8,15H,6-7,9-10H2,1-5H3.
What are the key properties of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone?
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone has a molecular weight of 315.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 71867393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).