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

C16H24N4O2 — CID 50976082

IUPACN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCC1=NOC(C)(CNC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C16H24N4O2/c1-11-9-16(2,22-20-11)10-17-15(21)8-7-14-12-5-3-4-6-13(12)18-19-14/h3-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLGKZVFPGYWFQEW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds5

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

N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 50976082) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID50976082
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCC1=NOC(C)(CNC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C16H24N4O2/c1-11-9-16(2,22-20-11)10-17-15(21)8-7-14-12-5-3-4-6-13(12)18-19-14/h3-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLGKZVFPGYWFQEW-UHFFFAOYSA-N
XLogP1.89
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 50976082) is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is CC1=NOC(C)(CNC(=O)CCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is LGKZVFPGYWFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-9-16(2,22-20-11)10-17-15(21)8-7-14-12-5-3-4-6-13(12)18-19-14/h3-10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 50976082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).