[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C17H21N5O2 — CID 143943434

IUPAC[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1coc(CNC2CC2)n1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(15-12-24-16(20-15)11-19-13-1-2-13)22-9-7-21(8-10-22)14-3-5-18-6-4-14/h3-6,12-13,19H,1-2,7-11H2
InChIKeyZTWKBVKRCFAWIW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds5

About [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 143943434) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID143943434
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1coc(CNC2CC2)n1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(15-12-24-16(20-15)11-19-13-1-2-13)22-9-7-21(8-10-22)14-3-5-18-6-4-14/h3-6,12-13,19H,1-2,7-11H2
InChIKeyZTWKBVKRCFAWIW-UHFFFAOYSA-N
XLogP1.28
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 143943434) is [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1coc(CNC2CC2)n1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is ZTWKBVKRCFAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(15-12-24-16(20-15)11-19-13-1-2-13)22-9-7-21(8-10-22)14-3-5-18-6-4-14/h3-6,12-13,19H,1-2,7-11H2.
What are the key properties of [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 143943434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).