(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

C16H23N3O3 — CID 146119848

IUPAC(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCc1cc(CN2C[C@@H]3[C@H](OCC4CC4)C(=O)N(C)[C@@H]3C2)no1
InChIInChI=1S/C16H23N3O3/c1-10-5-12(17-22-10)6-19-7-13-14(8-19)18(2)16(20)15(13)21-9-11-3-4-11/h5,11,13-15H,3-4,6-9H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyWHHJOYCNBLTECF-ZNMIVQPWSA-N
MW305.38 g/mol
LogP1.05
Rot. Bonds5

About (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (PubChem CID 146119848) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
PubChem CID146119848
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
SMILESCc1cc(CN2C[C@@H]3[C@H](OCC4CC4)C(=O)N(C)[C@@H]3C2)no1
InChIInChI=1S/C16H23N3O3/c1-10-5-12(17-22-10)6-19-7-13-14(8-19)18(2)16(20)15(13)21-9-11-3-4-11/h5,11,13-15H,3-4,6-9H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyWHHJOYCNBLTECF-ZNMIVQPWSA-N
XLogP1.05
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one with MolForge

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97475241
3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
CID 97474559
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155830154
(3R,3aR,7aS)-3-(cyclopentylmethoxy)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133136536
[(3S,3aS,6aR)-3-(cyclopropylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133142210
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
2-(cyclopropylmethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86991307
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one (CID 146119848) is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one.
What is the SMILES notation for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The canonical SMILES for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is Cc1cc(CN2C[C@@H]3[C@H](OCC4CC4)C(=O)N(C)[C@@H]3C2)no1.
What is the InChIKey of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
The InChIKey is WHHJOYCNBLTECF-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-5-12(17-22-10)6-19-7-13-14(8-19)18(2)16(20)15(13)21-9-11-3-4-11/h5,11,13-15H,3-4,6-9H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one?
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one is sourced from PubChem (CID 146119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).