5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

C14H14N2O3S — CID 124876163

IUPAC5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1c(-c2cccs2)noc1[C@H](C)O
InChIInChI=1S/C14H14N2O3S/c1-4-7-16(3)14(18)11-12(10-6-5-8-20-10)15-19-13(11)9(2)17/h1,5-6,8-9,17H,7H2,2-3H3/t9-/m0/s1
InChIKeyLUTVSTMOHBUHTQ-VIFPVBQESA-N
MW290.34 g/mol
LogP2.16
Rot. Bonds4

About 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 124876163) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID124876163
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1c(-c2cccs2)noc1[C@H](C)O
InChIInChI=1S/C14H14N2O3S/c1-4-7-16(3)14(18)11-12(10-6-5-8-20-10)15-19-13(11)9(2)17/h1,5-6,8-9,17H,7H2,2-3H3/t9-/m0/s1
InChIKeyLUTVSTMOHBUHTQ-VIFPVBQESA-N
XLogP2.16
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1-hydroxyethyl)-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 162868259
[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878541
5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 163093181
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 71930483
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanol
CID 44603815
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
5-(3-methylbut-2-enoylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142773910

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 124876163) is 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is C#CCN(C)C(=O)c1c(-c2cccs2)noc1[C@H](C)O.
What is the InChIKey of 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is LUTVSTMOHBUHTQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-4-7-16(3)14(18)11-12(10-6-5-8-20-10)15-19-13(11)9(2)17/h1,5-6,8-9,17H,7H2,2-3H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxyethyl]-N-methyl-N-prop-2-ynyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 124876163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).