[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C17H21N3O3S — CID 97369419

IUPAC[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nc([C@H]2C[C@H]3CN(C(=O)c4cnoc4C)CC[C@@H]3O2)sc1C
InChIInChI=1S/C17H21N3O3S/c1-9-11(3)24-16(19-9)15-6-12-8-20(5-4-14(12)22-15)17(21)13-7-18-23-10(13)2/h7,12,14-15H,4-6,8H2,1-3H3/t12-,14-,15+/m0/s1
InChIKeyYKDLQLBWHMFMRH-AEGPPILISA-N
MW347.44 g/mol
LogP3.05
Rot. Bonds2

About [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 97369419) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID97369419
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nc([C@H]2C[C@H]3CN(C(=O)c4cnoc4C)CC[C@@H]3O2)sc1C
InChIInChI=1S/C17H21N3O3S/c1-9-11(3)24-16(19-9)15-6-12-8-20(5-4-14(12)22-15)17(21)13-7-18-23-10(13)2/h7,12,14-15H,4-6,8H2,1-3H3/t12-,14-,15+/m0/s1
InChIKeyYKDLQLBWHMFMRH-AEGPPILISA-N
XLogP3.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(2S,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97369716
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95777950
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97392551
[(2S,3aR,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 124811162
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97392553
[(2S,3aR,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-methoxy-3-pyridinyl)methanone
CID 124810118
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131687702
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 97369419) is [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1nc([C@H]2C[C@H]3CN(C(=O)c4cnoc4C)CC[C@@H]3O2)sc1C.
What is the InChIKey of [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is YKDLQLBWHMFMRH-AEGPPILISA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-9-11(3)24-16(19-9)15-6-12-8-20(5-4-14(12)22-15)17(21)13-7-18-23-10(13)2/h7,12,14-15H,4-6,8H2,1-3H3/t12-,14-,15+/m0/s1.
What are the key properties of [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 97369419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).