N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C23H29N3O2 — CID 50970501

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)N(CC1=CCCN(Cc2cc(C)on2)C1)C1CCCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-17-13-21(24-28-17)16-25-12-6-7-19(14-25)15-26(18(2)27)23-11-5-9-20-8-3-4-10-22(20)23/h3-4,7-8,10,13,23H,5-6,9,11-12,14-16H2,1-2H3
InChIKeyZHKHGXOOQHQDII-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 50970501) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID50970501
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)N(CC1=CCCN(Cc2cc(C)on2)C1)C1CCCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-17-13-21(24-28-17)16-25-12-6-7-19(14-25)15-26(18(2)27)23-11-5-9-20-8-3-4-10-22(20)23/h3-4,7-8,10,13,23H,5-6,9,11-12,14-16H2,1-2H3
InChIKeyZHKHGXOOQHQDII-UHFFFAOYSA-N
XLogP4.04
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 50970501) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(=O)N(CC1=CCCN(Cc2cc(C)on2)C1)C1CCCc2ccccc21.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZHKHGXOOQHQDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-13-21(24-28-17)16-25-12-6-7-19(14-25)15-26(18(2)27)23-11-5-9-20-8-3-4-10-22(20)23/h3-4,7-8,10,13,23H,5-6,9,11-12,14-16H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 50970501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).