N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide

C14H18N4O2S — CID 131960827

IUPACN-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
SMILESCC(c1ccsc1)N1CCN(C(=O)Nc2ccon2)CC1
InChIInChI=1S/C14H18N4O2S/c1-11(12-3-9-21-10-12)17-4-6-18(7-5-17)14(19)15-13-2-8-20-16-13/h2-3,8-11H,4-7H2,1H3,(H,15,16,19)
InChIKeyPRNWMBIDVVCTEK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.65
Rot. Bonds3

About N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide

N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide (PubChem CID 131960827) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
PubChem CID131960827
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
SMILESCC(c1ccsc1)N1CCN(C(=O)Nc2ccon2)CC1
InChIInChI=1S/C14H18N4O2S/c1-11(12-3-9-21-10-12)17-4-6-18(7-5-17)14(19)15-13-2-8-20-16-13/h2-3,8-11H,4-7H2,1H3,(H,15,16,19)
InChIKeyPRNWMBIDVVCTEK-UHFFFAOYSA-N
XLogP2.65
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 91660630
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
N-(1,2-oxazol-3-yl)-2-piperazin-1-ylpropanamide
CID 62913788
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 145127553
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide (CID 131960827) is N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide is CC(c1ccsc1)N1CCN(C(=O)Nc2ccon2)CC1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide?
The InChIKey is PRNWMBIDVVCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11(12-3-9-21-10-12)17-4-6-18(7-5-17)14(19)15-13-2-8-20-16-13/h2-3,8-11H,4-7H2,1H3,(H,15,16,19).
What are the key properties of N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide?
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 131960827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).