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

C14H16N2O3S — CID 78121925

IUPACN-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C=CCNC(=O)c1cc(-c2cccs2)on1)CO
InChIInChI=1S/C14H16N2O3S/c1-10(9-17)4-2-6-15-14(18)11-8-12(19-16-11)13-5-3-7-20-13/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18)
InChIKeyPBSLXADABRHNKB-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.32
Rot. Bonds6

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

N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 78121925) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID78121925
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C=CCNC(=O)c1cc(-c2cccs2)on1)CO
InChIInChI=1S/C14H16N2O3S/c1-10(9-17)4-2-6-15-14(18)11-8-12(19-16-11)13-5-3-7-20-13/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18)
InChIKeyPBSLXADABRHNKB-UHFFFAOYSA-N
XLogP2.32
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
(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-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
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-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52508994

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 78121925) is N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C=CCNC(=O)c1cc(-c2cccs2)on1)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PBSLXADABRHNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(9-17)4-2-6-15-14(18)11-8-12(19-16-11)13-5-3-7-20-13/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18).
What are the key properties of N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpent-2-enyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78121925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).