(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine

C16H21N3OS — CID 101446878

IUPAC(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine
SMILESCc1csc([C@@H]2C[C@H](c3ccccn3)ON2C(C)(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-11-10-21-15(18-11)13-9-14(12-7-5-6-8-17-12)20-19(13)16(2,3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14+/m0/s1
InChIKeySNFDRLWTWRGCHU-UONOGXRCSA-N
MW303.43 g/mol
LogP4.06
Rot. Bonds2

About (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine

(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine (PubChem CID 101446878) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine
PubChem CID101446878
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine
SMILESCc1csc([C@@H]2C[C@H](c3ccccn3)ON2C(C)(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-11-10-21-15(18-11)13-9-14(12-7-5-6-8-17-12)20-19(13)16(2,3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14+/m0/s1
InChIKeySNFDRLWTWRGCHU-UONOGXRCSA-N
XLogP4.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701
(3S,5R)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 701268
4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole
CID 101455716
(4R)-N-benzoyl-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxamide
CID 68670924
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
CID 115777326
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
1-(2-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-amine
CID 104772272
tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate
CID 68672051
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
2-[(4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carbonyl]benzamide
CID 68670923
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylsulfonylmorpholine
CID 99827350

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine (CID 101446878) is (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine is Cc1csc([C@@H]2C[C@H](c3ccccn3)ON2C(C)(C)C)n1.
What is the InChIKey of (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine?
The InChIKey is SNFDRLWTWRGCHU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-10-21-15(18-11)13-9-14(12-7-5-6-8-17-12)20-19(13)16(2,3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine?
(3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine has a molecular weight of 303.43 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-1,2-oxazolidine is sourced from PubChem (CID 101446878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).