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

C14H16N2O3 — CID 107231345

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(CO)cc2)o1
InChIInChI=1S/C14H16N2O3/c1-9-13(19-10(2)16-9)14(18)15-7-11-3-5-12(8-17)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBDRJWMJRYPMONR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.71
Rot. Bonds4

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

N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 107231345) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID107231345
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(CO)cc2)o1
InChIInChI=1S/C14H16N2O3/c1-9-13(19-10(2)16-9)14(18)15-7-11-3-5-12(8-17)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,15,18)
InChIKeyBDRJWMJRYPMONR-UHFFFAOYSA-N
XLogP1.71
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
N-[[3-(bromomethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313108
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 122563750
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75393808
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 107231330
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209532
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 107231345) is N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccc(CO)cc2)o1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BDRJWMJRYPMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-13(19-10(2)16-9)14(18)15-7-11-3-5-12(8-17)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 107231345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).