N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide

C19H20N4O2 — CID 56836708

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1coc(Cc2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-12-8-17(20)22-13(2)15(12)10-21-19(24)16-11-25-18(23-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyHQQHQZXVVZJXRZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide (PubChem CID 56836708) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide
PubChem CID56836708
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1coc(Cc2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-12-8-17(20)22-13(2)15(12)10-21-19(24)16-11-25-18(23-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyHQQHQZXVVZJXRZ-UHFFFAOYSA-N
XLogP2.79
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide (CID 56836708) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1coc(Cc2ccccc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide?
The InChIKey is HQQHQZXVVZJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-8-17(20)22-13(2)15(12)10-21-19(24)16-11-25-18(23-16)9-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-benzyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56836708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).