N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H20N2O3S — CID 106353110

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)13(6-7-18)16-14(19)10-9-11(20-17-10)12-5-4-8-21-12/h4-5,8-9,13,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyUFICDGWDCIWRGD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.93
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 106353110) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID106353110
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)13(6-7-18)16-14(19)10-9-11(20-17-10)12-5-4-8-21-12/h4-5,8-9,13,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyUFICDGWDCIWRGD-UHFFFAOYSA-N
XLogP2.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 78121925
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994
N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134057102

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 106353110) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C)(C)C(CCO)NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UFICDGWDCIWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2,3)13(6-7-18)16-14(19)10-9-11(20-17-10)12-5-4-8-21-12/h4-5,8-9,13,18H,6-7H2,1-3H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106353110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).