N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

C23H24N4O2 — CID 25460055

IUPACN-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1
InChIInChI=1S/C23H24N4O2/c1-27(13-12-18-15-24-25-16-18)23(28)19-10-11-21-20(14-19)26-22(29-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-16H,5,8-9,12-13H2,1H3,(H,24,25)
InChIKeyMDIDDRDSDGDTKU-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds8

About N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 25460055) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
PubChem CID25460055
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1
InChIInChI=1S/C23H24N4O2/c1-27(13-12-18-15-24-25-16-18)23(28)19-10-11-21-20(14-19)26-22(29-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-16H,5,8-9,12-13H2,1H3,(H,24,25)
InChIKeyMDIDDRDSDGDTKU-UHFFFAOYSA-N
XLogP4.04
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42098920
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42526152
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42380482
N-methyl-2-(2-phenylethyl)-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25459084
methyl 4-methylsulfanyl-2-[[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]amino]butanoate
CID 45245990
2-(3-phenoxypropyl)-1,3-benzoxazole-5-carboxylic acid
CID 83970969
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 26392046
[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 25380800
2-(3-phenylpropyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
CID 45188566

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (CID 25460055) is N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is CN(CCc1cn[nH]c1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1.
What is the InChIKey of N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is MDIDDRDSDGDTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(13-12-18-15-24-25-16-18)23(28)19-10-11-21-20(14-19)26-22(29-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-16H,5,8-9,12-13H2,1H3,(H,24,25).
What are the key properties of N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 25460055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).