cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone

C14H19N3O3 — CID 134788782

IUPACcyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone
SMILESO=C(C1=NOC2CN(C(=O)C3CC3)CC12)N1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(9-3-4-9)17-7-10-11(8-17)20-15-12(10)14(19)16-5-1-2-6-16/h9-11H,1-8H2
InChIKeyZHEZGTMTWJPQCX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.23
Rot. Bonds2

About cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone

cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone (PubChem CID 134788782) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone
PubChem CID134788782
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone
SMILESO=C(C1=NOC2CN(C(=O)C3CC3)CC12)N1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(9-3-4-9)17-7-10-11(8-17)20-15-12(10)14(19)16-5-1-2-6-16/h9-11H,1-8H2
InChIKeyZHEZGTMTWJPQCX-UHFFFAOYSA-N
XLogP0.23
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3aR,6aS)-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carbonyl]cyclopentane-1-carbonitrile
CID 131686036
(3aR,6aS)-5-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
CID 131686836
(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
CID 131686765
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337
5-N-propan-2-yl-3-N-prop-2-ynyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
CID 134787323
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone?
The IUPAC name of cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone (CID 134788782) is cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone is O=C(C1=NOC2CN(C(=O)C3CC3)CC12)N1CCCC1.
What is the InChIKey of cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone?
The InChIKey is ZHEZGTMTWJPQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(9-3-4-9)17-7-10-11(8-17)20-15-12(10)14(19)16-5-1-2-6-16/h9-11H,1-8H2.
What are the key properties of cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone?
cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone has a molecular weight of 277.32 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone is sourced from PubChem (CID 134788782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).