[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone

C9H13N3O2 — CID 89056801

IUPAC[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1cnc(C(=O)N2CCCC2)o1
InChIInChI=1S/C9H13N3O2/c1-10-7-6-11-8(14-7)9(13)12-4-2-3-5-12/h6,10H,2-5H2,1H3
InChIKeyRCJCYOXZPKFHOE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds2

About [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 89056801) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID89056801
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1cnc(C(=O)N2CCCC2)o1
InChIInChI=1S/C9H13N3O2/c1-10-7-6-11-8(14-7)9(13)12-4-2-3-5-12/h6,10H,2-5H2,1H3
InChIKeyRCJCYOXZPKFHOE-UHFFFAOYSA-N
XLogP0.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone (CID 89056801) is [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone is CNc1cnc(C(=O)N2CCCC2)o1.
What is the InChIKey of [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RCJCYOXZPKFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-10-7-6-11-8(14-7)9(13)12-4-2-3-5-12/h6,10H,2-5H2,1H3.
What are the key properties of [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 195.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 89056801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).