N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide

C14H17N3O3 — CID 66155520

IUPACN-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)Cc2ccccc2N)no1
InChIInChI=1S/C14H17N3O3/c1-17(8-10-5-3-4-6-12(10)15)14(18)13-7-11(9-19-2)20-16-13/h3-7H,8-9,15H2,1-2H3
InChIKeyKOPVTVLHQPINHI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.68
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide

N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 66155520) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID66155520
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)Cc2ccccc2N)no1
InChIInChI=1S/C14H17N3O3/c1-17(8-10-5-3-4-6-12(10)15)14(18)13-7-11(9-19-2)20-16-13/h3-7H,8-9,15H2,1-2H3
InChIKeyKOPVTVLHQPINHI-UHFFFAOYSA-N
XLogP1.68
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79651931
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43383805
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 66155520) is N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N(C)Cc2ccccc2N)no1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KOPVTVLHQPINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(8-10-5-3-4-6-12(10)15)14(18)13-7-11(9-19-2)20-16-13/h3-7H,8-9,15H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66155520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).