1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide

C24H23N7O3 — CID 10298055

IUPAC1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(-n3ccnc3COC)cc2)n(-c2ccc3onc(N)c3c2)n1
InChIInChI=1S/C24H23N7O3/c1-3-15-12-20(31(28-15)18-8-9-21-19(13-18)23(25)29-34-21)24(32)27-16-4-6-17(7-5-16)30-11-10-26-22(30)14-33-2/h4-13H,3,14H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyAMASDMYAJFLGHY-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.74
Rot. Bonds7

About 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide

1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 10298055) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide
PubChem CID10298055
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(-n3ccnc3COC)cc2)n(-c2ccc3onc(N)c3c2)n1
InChIInChI=1S/C24H23N7O3/c1-3-15-12-20(31(28-15)18-8-9-21-19(13-18)23(25)29-34-21)24(32)27-16-4-6-17(7-5-16)30-11-10-26-22(30)14-33-2/h4-13H,3,14H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyAMASDMYAJFLGHY-UHFFFAOYSA-N
XLogP3.74
TPSA126.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide (CID 10298055) is 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(-n3ccnc3COC)cc2)n(-c2ccc3onc(N)c3c2)n1.
What is the InChIKey of 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is AMASDMYAJFLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-3-15-12-20(31(28-15)18-8-9-21-19(13-18)23(25)29-34-21)24(32)27-16-4-6-17(7-5-16)30-11-10-26-22(30)14-33-2/h4-13H,3,14H2,1-2H3,(H2,25,29)(H,27,32).
What are the key properties of 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide?
1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2-benzoxazol-5-yl)-3-ethyl-N-[4-[2-(methoxymethyl)imidazol-1-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 10298055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).