(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

C14H18N4O2 — CID 110104637

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3c(C)noc3C)C2)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-6-15-13(16-8)11-4-5-18(7-11)14(19)12-9(2)17-20-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyPCHPZWYJAHSOMP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.95
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110104637) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110104637
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3c(C)noc3C)C2)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-6-15-13(16-8)11-4-5-18(7-11)14(19)12-9(2)17-20-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyPCHPZWYJAHSOMP-UHFFFAOYSA-N
XLogP1.95
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124997628
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
CID 110245983
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124995705
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110104071
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124990304

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 110104637) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is Cc1cnc(C2CCN(C(=O)c3c(C)noc3C)C2)[nH]1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PCHPZWYJAHSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-6-15-13(16-8)11-4-5-18(7-11)14(19)12-9(2)17-20-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).