5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide

C23H18N4O2 — CID 68990785

IUPAC5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1)c1cccc2ccccc12
InChIInChI=1S/C23H18N4O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)25-23(28)21-12-22(29-27-21)16-9-10-20-17(11-16)13-24-26-20/h2-14H,1H3,(H,24,26)(H,25,28)/t14-/m0/s1
InChIKeyPYQVYKFUGXYTFW-AWEZNQCLSA-N
MW382.42 g/mol
LogP4.86
Rot. Bonds4

About 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide

5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 68990785) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
PubChem CID68990785
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1)c1cccc2ccccc12
InChIInChI=1S/C23H18N4O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)25-23(28)21-12-22(29-27-21)16-9-10-20-17(11-16)13-24-26-20/h2-14H,1H3,(H,24,26)(H,25,28)/t14-/m0/s1
InChIKeyPYQVYKFUGXYTFW-AWEZNQCLSA-N
XLogP4.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide (CID 68990785) is 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide is C[C@H](NC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1)c1cccc2ccccc12.
What is the InChIKey of 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PYQVYKFUGXYTFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)25-23(28)21-12-22(29-27-21)16-9-10-20-17(11-16)13-24-26-20/h2-14H,1H3,(H,24,26)(H,25,28)/t14-/m0/s1.
What are the key properties of 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide?
5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68990785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).