[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C17H22N4O3 — CID 110098082

IUPAC[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C17H22N4O3/c1-2-20(10-14-3-6-18-7-4-14)11-17(23)5-8-21(12-17)16(22)15-9-19-13-24-15/h3-4,6-7,9,13,23H,2,5,8,10-12H2,1H3
InChIKeyYWZUUBLKFRUTPF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.17
Rot. Bonds6

About [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110098082) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110098082
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C17H22N4O3/c1-2-20(10-14-3-6-18-7-4-14)11-17(23)5-8-21(12-17)16(22)15-9-19-13-24-15/h3-4,6-7,9,13,23H,2,5,8,10-12H2,1H3
InChIKeyYWZUUBLKFRUTPF-UHFFFAOYSA-N
XLogP1.17
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 110098082) is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is CCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnco2)C1.
What is the InChIKey of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is YWZUUBLKFRUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-20(10-14-3-6-18-7-4-14)11-17(23)5-8-21(12-17)16(22)15-9-19-13-24-15/h3-4,6-7,9,13,23H,2,5,8,10-12H2,1H3.
What are the key properties of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110098082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).