4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide

C18H20N4O3 — CID 71992266

IUPAC4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
SMILESC#CCOc1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-2-12-24-17-5-3-15(4-6-17)19-18(23)22-10-8-21(9-11-22)14-16-7-13-25-20-16/h1,3-7,13H,8-12,14H2,(H,19,23)
InChIKeyZOQPPUCFOUDBKA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.04
Rot. Bonds5

About 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide

4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide (PubChem CID 71992266) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
PubChem CID71992266
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
SMILESC#CCOc1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-2-12-24-17-5-3-15(4-6-17)19-18(23)22-10-8-21(9-11-22)14-16-7-13-25-20-16/h1,3-7,13H,8-12,14H2,(H,19,23)
InChIKeyZOQPPUCFOUDBKA-UHFFFAOYSA-N
XLogP2.04
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.04
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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
1-(1,2-oxazol-3-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 42519623
1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide
CID 111109306
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide (CID 71992266) is 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide is C#CCOc1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cc1.
What is the InChIKey of 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZOQPPUCFOUDBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-12-24-17-5-3-15(4-6-17)19-18(23)22-10-8-21(9-11-22)14-16-7-13-25-20-16/h1,3-7,13H,8-12,14H2,(H,19,23).
What are the key properties of 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide?
4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 71992266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).