N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine

C18H16N4O — CID 25175383

IUPACN-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4ccccc4)o3)cc12
InChIInChI=1S/C18H16N4O/c1-12-15-9-14(7-8-16(15)22-21-12)17-11-20-18(23-17)19-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeySGDVFOVCDMFWPQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.14
Rot. Bonds4

About N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine

N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 25175383) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID25175383
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4ccccc4)o3)cc12
InChIInChI=1S/C18H16N4O/c1-12-15-9-14(7-8-16(15)22-21-12)17-11-20-18(23-17)19-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeySGDVFOVCDMFWPQ-UHFFFAOYSA-N
XLogP4.14
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine (CID 25175383) is N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine is Cc1[nH]nc2ccc(-c3cnc(NCc4ccccc4)o3)cc12.
What is the InChIKey of N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is SGDVFOVCDMFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-15-9-14(7-8-16(15)22-21-12)17-11-20-18(23-17)19-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine?
N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 25175383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).