N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C24H23N7O2 — CID 86704234

IUPACN-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C24H23N7O2/c1-16-6-5-7-17(12-16)22-21(26-15-33-22)23(32)28-18-13-27-31(14-18)11-10-25-24-29-19-8-3-4-9-20(19)30(24)2/h3-9,12-15H,10-11H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyRMRKKVLRYNGOOM-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.10
Rot. Bonds7

About N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 86704234) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID86704234
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C24H23N7O2/c1-16-6-5-7-17(12-16)22-21(26-15-33-22)23(32)28-18-13-27-31(14-18)11-10-25-24-29-19-8-3-4-9-20(19)30(24)2/h3-9,12-15H,10-11H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyRMRKKVLRYNGOOM-UHFFFAOYSA-N
XLogP4.10
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 86704234) is N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCNc3nc4ccccc4n3C)c2)c1.
What is the InChIKey of N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RMRKKVLRYNGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-16-6-5-7-17(12-16)22-21(26-15-33-22)23(32)28-18-13-27-31(14-18)11-10-25-24-29-19-8-3-4-9-20(19)30(24)2/h3-9,12-15H,10-11H2,1-2H3,(H,25,29)(H,28,32).
What are the key properties of N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(1-methylbenzimidazol-2-yl)amino]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).