N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide

C14H14N2O2S2 — CID 71930483

IUPACN-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
SMILESC#CCNC(=O)C(C)SCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H14N2O2S2/c1-3-6-15-14(17)10(2)20-9-11-8-12(18-16-11)13-5-4-7-19-13/h1,4-5,7-8,10H,6,9H2,2H3,(H,15,17)
InChIKeyGSSULPSTQFHSPS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.77
Rot. Bonds6

About N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide

N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide (PubChem CID 71930483) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
PubChem CID71930483
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
SMILESC#CCNC(=O)C(C)SCc1cc(-c2cccs2)on1
InChIInChI=1S/C14H14N2O2S2/c1-3-6-15-14(17)10(2)20-9-11-8-12(18-16-11)13-5-4-7-19-13/h1,4-5,7-8,10H,6,9H2,2H3,(H,15,17)
InChIKeyGSSULPSTQFHSPS-UHFFFAOYSA-N
XLogP2.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.77
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

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylpropanamide
CID 47145785
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077
N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 60541860

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The IUPAC name of N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide (CID 71930483) is N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide is C#CCNC(=O)C(C)SCc1cc(-c2cccs2)on1.
What is the InChIKey of N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The InChIKey is GSSULPSTQFHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-3-6-15-14(17)10(2)20-9-11-8-12(18-16-11)13-5-4-7-19-13/h1,4-5,7-8,10H,6,9H2,2H3,(H,15,17).
What are the key properties of N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 71930483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).