4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole

C19H21N5OS — CID 162625384

IUPAC4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nnc(N2CC[C@H]3[C@@H]2CCN3Cc2coc(-c3ccccc3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-13-21-22-19(26-13)24-10-8-16-17(24)7-9-23(16)11-15-12-25-18(20-15)14-5-3-2-4-6-14/h2-6,12,16-17H,7-11H2,1H3/t16-,17-/m0/s1
InChIKeyRICKVNRWEKDFJF-IRXDYDNUSA-N
MW367.48 g/mol
LogP3.35
Rot. Bonds4

About 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole

4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 162625384) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID162625384
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1nnc(N2CC[C@H]3[C@@H]2CCN3Cc2coc(-c3ccccc3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-13-21-22-19(26-13)24-10-8-16-17(24)7-9-23(16)11-15-12-25-18(20-15)14-5-3-2-4-6-14/h2-6,12,16-17H,7-11H2,1H3/t16-,17-/m0/s1
InChIKeyRICKVNRWEKDFJF-IRXDYDNUSA-N
XLogP3.35
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole with MolForge

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Related Compounds

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[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
CID 11537304
7-phenyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-5-one
CID 71880430
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954

Frequently Asked Questions

What is the IUPAC name of 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 162625384) is 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1nnc(N2CC[C@H]3[C@@H]2CCN3Cc2coc(-c3ccccc3)n2)s1.
What is the InChIKey of 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is RICKVNRWEKDFJF-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-21-22-19(26-13)24-10-8-16-17(24)7-9-23(16)11-15-12-25-18(20-15)14-5-3-2-4-6-14/h2-6,12,16-17H,7-11H2,1H3/t16-,17-/m0/s1.
What are the key properties of 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole?
4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 367.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3aS,6aS)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 162625384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).