N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C20H15N5O2 — CID 118335374

IUPACN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C20H15N5O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,11H2,1H3,(H,22,23,26)
InChIKeyVQUNJNIHCVBSRD-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.51
Rot. Bonds4

About N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118335374) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID118335374
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12
InChIInChI=1S/C20H15N5O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,11H2,1H3,(H,22,23,26)
InChIKeyVQUNJNIHCVBSRD-UHFFFAOYSA-N
XLogP3.51
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 118335374) is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VQUNJNIHCVBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15/h2-9,12H,11H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).