N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide

C21H20N4O2 — CID 50969207

IUPACN-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)CCc4cn[nH]c4)c(C)c3)nc2c1
InChIInChI=1S/C21H20N4O2/c1-13-3-7-19-18(9-13)25-21(27-19)16-5-6-17(14(2)10-16)24-20(26)8-4-15-11-22-23-12-15/h3,5-7,9-12H,4,8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyGXISTZRISUCUEQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.41
Rot. Bonds5

About N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide

N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 50969207) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID50969207
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)CCc4cn[nH]c4)c(C)c3)nc2c1
InChIInChI=1S/C21H20N4O2/c1-13-3-7-19-18(9-13)25-21(27-19)16-5-6-17(14(2)10-16)24-20(26)8-4-15-11-22-23-12-15/h3,5-7,9-12H,4,8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyGXISTZRISUCUEQ-UHFFFAOYSA-N
XLogP4.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide 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-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide (CID 50969207) is N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide is Cc1ccc2oc(-c3ccc(NC(=O)CCc4cn[nH]c4)c(C)c3)nc2c1.
What is the InChIKey of N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is GXISTZRISUCUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-3-7-19-18(9-13)25-21(27-19)16-5-6-17(14(2)10-16)24-20(26)8-4-15-11-22-23-12-15/h3,5-7,9-12H,4,8H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 50969207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).