5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide

C14H17N3O2 — CID 68805700

IUPAC5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2ccccc2)oc1CN
InChIInChI=1S/C14H17N3O2/c1-10-12(8-15)19-13(16-10)14(18)17(2)9-11-6-4-3-5-7-11/h3-7H,8-9,15H2,1-2H3
InChIKeyVYJQGQIPFIMANT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds4

About 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide

5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide (PubChem CID 68805700) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
PubChem CID68805700
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2ccccc2)oc1CN
InChIInChI=1S/C14H17N3O2/c1-10-12(8-15)19-13(16-10)14(18)17(2)9-11-6-4-3-5-7-11/h3-7H,8-9,15H2,1-2H3
InChIKeyVYJQGQIPFIMANT-UHFFFAOYSA-N
XLogP1.71
TPSA72.36 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
CID 68802211
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46894651
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide (CID 68805700) is 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide is Cc1nc(C(=O)N(C)Cc2ccccc2)oc1CN.
What is the InChIKey of 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide?
The InChIKey is VYJQGQIPFIMANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-12(8-15)19-13(16-10)14(18)17(2)9-11-6-4-3-5-7-11/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide?
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 68805700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).