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

C17H20N2O3 — CID 111471045

IUPACN-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C17H20N2O3/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)18-9-13-3-2-4-14(13)20/h5-8,10,13-14,20H,2-4,9H2,1H3,(H,18,21)
InChIKeyWQHCPIIMZVPOLR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds4

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

N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 111471045) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID111471045
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C17H20N2O3/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)18-9-13-3-2-4-14(13)20/h5-8,10,13-14,20H,2-4,9H2,1H3,(H,18,21)
InChIKeyWQHCPIIMZVPOLR-UHFFFAOYSA-N
XLogP2.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 109400231
N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 119602891
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232273
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 120651301
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 102560879
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 97006110
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 111471045) is N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NCC2CCCC2O)cc1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WQHCPIIMZVPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-5-7-12(8-6-11)16-15(19-10-22-16)17(21)18-9-13-3-2-4-14(13)20/h5-8,10,13-14,20H,2-4,9H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111471045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).