N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

C23H24N4O2 — CID 42526152

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)nn1C
InChIInChI=1S/C23H24N4O2/c1-16-13-19(26-27(16)2)15-24-23(28)18-11-12-21-20(14-18)25-22(29-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,24,28)
InChIKeyVSWRXIIMZZRPSU-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.98
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 42526152) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
PubChem CID42526152
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)nn1C
InChIInChI=1S/C23H24N4O2/c1-16-13-19(26-27(16)2)15-24-23(28)18-11-12-21-20(14-18)25-22(29-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,24,28)
InChIKeyVSWRXIIMZZRPSU-UHFFFAOYSA-N
XLogP3.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 26392046
2-(3-phenylpropyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
CID 45188566
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42380482
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate
CID 45245990
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 28729704
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 25460055
2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24794271
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide (CID 42526152) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide is Cc1cc(CNC(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is VSWRXIIMZZRPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-13-19(26-27(16)2)15-24-23(28)18-11-12-21-20(14-18)25-22(29-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,24,28).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42526152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).