N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C14H17N3O2 — CID 86931949

IUPACN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN(C)C)c2)no1
InChIInChI=1S/C14H17N3O2/c1-10-7-13(16-19-10)14(18)15-12-6-4-5-11(8-12)9-17(2)3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyFKRNYIVBQVYHCR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds4

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

N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 86931949) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID86931949
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN(C)C)c2)no1
InChIInChI=1S/C14H17N3O2/c1-10-7-13(16-19-10)14(18)15-12-6-4-5-11(8-12)9-17(2)3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyFKRNYIVBQVYHCR-UHFFFAOYSA-N
XLogP2.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 86931949) is N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)no1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FKRNYIVBQVYHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-13(16-19-10)14(18)15-12-6-4-5-11(8-12)9-17(2)3/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86931949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).