(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H25N3O3S — CID 97318087

IUPAC(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H25N3O3S/c1-15(2,3)12-7-10(18-22-12)14(21)19-9-23-8-11(19)13(20)17-16(4,5)6/h7,11H,8-9H2,1-6H3,(H,17,20)/t11-/m1/s1
InChIKeyDNMJJFNSKBYNQQ-LLVKDONJSA-N
MW339.46 g/mol
LogP2.40
Rot. Bonds2

About (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97318087) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97318087
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C16H25N3O3S/c1-15(2,3)12-7-10(18-22-12)14(21)19-9-23-8-11(19)13(20)17-16(4,5)6/h7,11H,8-9H2,1-6H3,(H,17,20)/t11-/m1/s1
InChIKeyDNMJJFNSKBYNQQ-LLVKDONJSA-N
XLogP2.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 97318087) is (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DNMJJFNSKBYNQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-15(2,3)12-7-10(18-22-12)14(21)19-9-23-8-11(19)13(20)17-16(4,5)6/h7,11H,8-9H2,1-6H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97318087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).