N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide

C18H17N5O3 — CID 57422311

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)cc2o1
InChIInChI=1S/C18H17N5O3/c1-10-15(11(2)26-22-10)9-23-8-14(7-19-23)21-18(24)13-4-5-16-17(6-13)25-12(3)20-16/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyYLZNJMYVEIDADZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.24
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 57422311) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID57422311
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)cc2o1
InChIInChI=1S/C18H17N5O3/c1-10-15(11(2)26-22-10)9-23-8-14(7-19-23)21-18(24)13-4-5-16-17(6-13)25-12(3)20-16/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyYLZNJMYVEIDADZ-UHFFFAOYSA-N
XLogP3.24
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide (CID 57422311) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cnn(Cc4c(C)noc4C)c3)cc2o1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is YLZNJMYVEIDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10-15(11(2)26-22-10)9-23-8-14(7-19-23)21-18(24)13-4-5-16-17(6-13)25-12(3)20-16/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 57422311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).