N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H22N2O4 — CID 131703969

IUPACN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1(OCCO)CCCC1
InChIInChI=1S/C14H22N2O4/c1-10-12(11(2)20-16-10)13(18)15-9-14(19-8-7-17)5-3-4-6-14/h17H,3-9H2,1-2H3,(H,15,18)
InChIKeyYZHKNDKFUBTGEY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.34
Rot. Bonds6

About N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 131703969) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID131703969
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1(OCCO)CCCC1
InChIInChI=1S/C14H22N2O4/c1-10-12(11(2)20-16-10)13(18)15-9-14(19-8-7-17)5-3-4-6-14/h17H,3-9H2,1-2H3,(H,15,18)
InChIKeyYZHKNDKFUBTGEY-UHFFFAOYSA-N
XLogP1.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 131703969) is N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCC1(OCCO)CCCC1.
What is the InChIKey of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YZHKNDKFUBTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10-12(11(2)20-16-10)13(18)15-9-14(19-8-7-17)5-3-4-6-14/h17H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131703969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).