[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone

C16H22N4O2 — CID 119485066

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
SMILESCc1cc(-n2c(C)cc(C(=O)N3CCC(CN)C3)c2C)no1
InChIInChI=1S/C16H22N4O2/c1-10-6-14(16(21)19-5-4-13(8-17)9-19)12(3)20(10)15-7-11(2)22-18-15/h6-7,13H,4-5,8-9,17H2,1-3H3
InChIKeyRRIUGXRUCARSMT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.81
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone (PubChem CID 119485066) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
PubChem CID119485066
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
SMILESCc1cc(-n2c(C)cc(C(=O)N3CCC(CN)C3)c2C)no1
InChIInChI=1S/C16H22N4O2/c1-10-6-14(16(21)19-5-4-13(8-17)9-19)12(3)20(10)15-7-11(2)22-18-15/h6-7,13H,4-5,8-9,17H2,1-3H3
InChIKeyRRIUGXRUCARSMT-UHFFFAOYSA-N
XLogP1.81
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone (CID 119485066) is [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone is Cc1cc(-n2c(C)cc(C(=O)N3CCC(CN)C3)c2C)no1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone?
The InChIKey is RRIUGXRUCARSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-6-14(16(21)19-5-4-13(8-17)9-19)12(3)20(10)15-7-11(2)22-18-15/h6-7,13H,4-5,8-9,17H2,1-3H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone is sourced from PubChem (CID 119485066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).