N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C21H24N4O2 — CID 56901385

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H24N4O2/c1-25(14-16-13-20(24-27-16)15-7-3-2-4-8-15)21(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,22,23)
InChIKeyPTFZRXNZIKZNDD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 56901385) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID56901385
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H24N4O2/c1-25(14-16-13-20(24-27-16)15-7-3-2-4-8-15)21(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,22,23)
InChIKeyPTFZRXNZIKZNDD-UHFFFAOYSA-N
XLogP3.53
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 56901385) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1n[nH]c2c1CCCC2.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is PTFZRXNZIKZNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25(14-16-13-20(24-27-16)15-7-3-2-4-8-15)21(26)12-11-19-17-9-5-6-10-18(17)22-23-19/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,22,23).
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 56901385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).