3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide

C14H22N2O4 — CID 71785690

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CC(O)C(CO)C1
InChIInChI=1S/C14H22N2O4/c1-8-12(9(2)20-16-8)3-4-14(19)15-11-5-10(7-17)13(18)6-11/h10-11,13,17-18H,3-7H2,1-2H3,(H,15,19)
InChIKeySCJPOMKPFMVDKK-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.47
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 71785690) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID71785690
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CC(O)C(CO)C1
InChIInChI=1S/C14H22N2O4/c1-8-12(9(2)20-16-8)3-4-14(19)15-11-5-10(7-17)13(18)6-11/h10-11,13,17-18H,3-7H2,1-2H3,(H,15,19)
InChIKeySCJPOMKPFMVDKK-UHFFFAOYSA-N
XLogP0.47
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide (CID 71785690) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide is Cc1noc(C)c1CCC(=O)NC1CC(O)C(CO)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is SCJPOMKPFMVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8-12(9(2)20-16-8)3-4-14(19)15-11-5-10(7-17)13(18)6-11/h10-11,13,17-18H,3-7H2,1-2H3,(H,15,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]propanamide is sourced from PubChem (CID 71785690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).