(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

C9H12N2O2 — CID 110702148

IUPAC(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)o1
InChIInChI=1S/C9H12N2O2/c1-7-10-6-8(13-7)9(12)11-4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyWZSDPZKOZISLGG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.22
Rot. Bonds1

About (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 110702148) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID110702148
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)o1
InChIInChI=1S/C9H12N2O2/c1-7-10-6-8(13-7)9(12)11-4-2-3-5-11/h6H,2-5H2,1H3
InChIKeyWZSDPZKOZISLGG-UHFFFAOYSA-N
XLogP1.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-(2-methyl-1,3-oxazol-5-yl)methanone
CID 166306248
(2-phenyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110681388
(2-methyl-1,3-oxazol-5-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110702218
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
azetidin-1-yl-(5-methylpyrimidin-2-yl)methanone
CID 153064839
[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone
CID 122557141
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110684621
CID 163402880
CID 163402880

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (CID 110702148) is (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1ncc(C(=O)N2CCCC2)o1.
What is the InChIKey of (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is WZSDPZKOZISLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-10-6-8(13-7)9(12)11-4-2-3-5-11/h6H,2-5H2,1H3.
What are the key properties of (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 180.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110702148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).