(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide

C14H19N3O4 — CID 131686765

IUPAC(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NC1CC1)C1=NO[C@@H]2CN(C(=O)C3CC(O)C3)C[C@H]12
InChIInChI=1S/C14H19N3O4/c18-9-3-7(4-9)14(20)17-5-10-11(6-17)21-16-12(10)13(19)15-8-1-2-8/h7-11,18H,1-6H2,(H,15,19)/t7?,9?,10-,11+/m0/s1
InChIKeyIYLKCOHONPUJNF-BHOWOBCZSA-N
MW293.32 g/mol
LogP-0.75
Rot. Bonds3

About (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide

(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 131686765) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID131686765
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NC1CC1)C1=NO[C@@H]2CN(C(=O)C3CC(O)C3)C[C@H]12
InChIInChI=1S/C14H19N3O4/c18-9-3-7(4-9)14(20)17-5-10-11(6-17)21-16-12(10)13(19)15-8-1-2-8/h7-11,18H,1-6H2,(H,15,19)/t7?,9?,10-,11+/m0/s1
InChIKeyIYLKCOHONPUJNF-BHOWOBCZSA-N
XLogP-0.75
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide with MolForge

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Related Compounds

cyclopropyl-[3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone
CID 134788782
N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685924
N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide
CID 131688992
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-hydroxycyclobutyl)methanone
CID 131684765
(5aR,9aR)-8-(3-hydroxycyclobutanecarbonyl)-4-(pyridin-4-ylmethyl)-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 131688239
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
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
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 169414968
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925
(3-hydroxycyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 131680688
(1S,9S)-N-cyclopropyl-11-(3,3-difluorocyclobutanecarbonyl)-3,4,6,11-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-diene-5-carboxamide
CID 131696843
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide (CID 131686765) is (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide is O=C(NC1CC1)C1=NO[C@@H]2CN(C(=O)C3CC(O)C3)C[C@H]12.
What is the InChIKey of (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is IYLKCOHONPUJNF-BHOWOBCZSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-9-3-7(4-9)14(20)17-5-10-11(6-17)21-16-12(10)13(19)15-8-1-2-8/h7-11,18H,1-6H2,(H,15,19)/t7?,9?,10-,11+/m0/s1.
What are the key properties of (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide?
(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 131686765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).