2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide

C13H21N3O2 — CID 77084474

IUPAC2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCC2CCCN2C)o1
InChIInChI=1S/C13H21N3O2/c1-9-12(18-10(2)15-9)13(17)14-7-6-11-5-4-8-16(11)3/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyIAVPSGRUCJEEOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 77084474) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID77084474
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCC2CCCN2C)o1
InChIInChI=1S/C13H21N3O2/c1-9-12(18-10(2)15-9)13(17)14-7-6-11-5-4-8-16(11)3/h11H,4-8H2,1-3H3,(H,14,17)
InChIKeyIAVPSGRUCJEEOD-UHFFFAOYSA-N
XLogP1.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 71667510
N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97410648
N-cyclopentyl-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249142
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
(4S)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N-ethyl-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 74230533
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 77084474) is 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCC2CCCN2C)o1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IAVPSGRUCJEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-12(18-10(2)15-9)13(17)14-7-6-11-5-4-8-16(11)3/h11H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 77084474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).