N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide

C15H20N4O3S — CID 95317793

IUPACN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)no1
InChIInChI=1S/C15H20N4O3S/c1-8-6-11(19-22-8)18-13(21)12(20)16-9(2)14-17-10(7-23-14)15(3,4)5/h6-7,9H,1-5H3,(H,16,20)(H,18,19,21)/t9-/m1/s1
InChIKeyLPBBEGLYUXNZEB-SECBINFHSA-N
MW336.42 g/mol
LogP2.55
Rot. Bonds3

About N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 95317793) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID95317793
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)no1
InChIInChI=1S/C15H20N4O3S/c1-8-6-11(19-22-8)18-13(21)12(20)16-9(2)14-17-10(7-23-14)15(3,4)5/h6-7,9H,1-5H3,(H,16,20)(H,18,19,21)/t9-/m1/s1
InChIKeyLPBBEGLYUXNZEB-SECBINFHSA-N
XLogP2.55
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 56803375
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
(1R,2S,3S,4R)-3-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773931
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47434402
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125452
(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941258

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 95317793) is N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)no1.
What is the InChIKey of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is LPBBEGLYUXNZEB-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-8-6-11(19-22-8)18-13(21)12(20)16-9(2)14-17-10(7-23-14)15(3,4)5/h6-7,9H,1-5H3,(H,16,20)(H,18,19,21)/t9-/m1/s1.
What are the key properties of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 336.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 95317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).