(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

C12H18N2O2 — CID 110684621

IUPAC(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCCC2)o1
InChIInChI=1S/C12H18N2O2/c1-8(2)10-11(16-9(3)13-10)12(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3
InChIKeyICPLAOJDBFOKOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.34
Rot. Bonds2

About (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone

(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 110684621) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID110684621
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCCC2)o1
InChIInChI=1S/C12H18N2O2/c1-8(2)10-11(16-9(3)13-10)12(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3
InChIKeyICPLAOJDBFOKOR-UHFFFAOYSA-N
XLogP2.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684687
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684703
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
(1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 39047066
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
2-methyl-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684632
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 70774249
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574481
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone (CID 110684621) is (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1nc(C(C)C)c(C(=O)N2CCCC2)o1.
What is the InChIKey of (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ICPLAOJDBFOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)10-11(16-9(3)13-10)12(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3.
What are the key properties of (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 222.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110684621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).