N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C18H22N2O3 — CID 109400231

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)N(C)CC2CCCC2O)cc1
InChIInChI=1S/C18H22N2O3/c1-12-6-8-13(9-7-12)17-16(19-11-23-17)18(22)20(2)10-14-4-3-5-15(14)21/h6-9,11,14-15,21H,3-5,10H2,1-2H3
InChIKeyWTSIIJYKSFZVOU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 109400231) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID109400231
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)N(C)CC2CCCC2O)cc1
InChIInChI=1S/C18H22N2O3/c1-12-6-8-13(9-7-12)17-16(19-11-23-17)18(22)20(2)10-14-4-3-5-15(14)21/h6-9,11,14-15,21H,3-5,10H2,1-2H3
InChIKeyWTSIIJYKSFZVOU-UHFFFAOYSA-N
XLogP2.88
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 109400231) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)N(C)CC2CCCC2O)cc1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WTSIIJYKSFZVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-6-8-13(9-7-12)17-16(19-11-23-17)18(22)20(2)10-14-4-3-5-15(14)21/h6-9,11,14-15,21H,3-5,10H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 109400231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).