3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide

C18H23N3O4 — CID 110125342

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C18H23N3O4/c1-11-14(12(2)25-21-11)5-8-17(22)20-15-6-7-16(18(15)23)24-13-4-3-9-19-10-13/h3-4,9-10,15-16,18,23H,5-8H2,1-2H3,(H,20,22)/t15-,16-,18-/m1/s1
InChIKeyOZAOOTFCSDVQSC-JFIYKMOQSA-N
MW345.40 g/mol
LogP1.71
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide (PubChem CID 110125342) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide
PubChem CID110125342
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C18H23N3O4/c1-11-14(12(2)25-21-11)5-8-17(22)20-15-6-7-16(18(15)23)24-13-4-3-9-19-10-13/h3-4,9-10,15-16,18,23H,5-8H2,1-2H3,(H,20,22)/t15-,16-,18-/m1/s1
InChIKeyOZAOOTFCSDVQSC-JFIYKMOQSA-N
XLogP1.71
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide (CID 110125342) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide is Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide?
The InChIKey is OZAOOTFCSDVQSC-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-14(12(2)25-21-11)5-8-17(22)20-15-6-7-16(18(15)23)24-13-4-3-9-19-10-13/h3-4,9-10,15-16,18,23H,5-8H2,1-2H3,(H,20,22)/t15-,16-,18-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide is sourced from PubChem (CID 110125342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).