N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide

C18H24N4O2 — CID 95827459

IUPACN-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide
SMILESCNC(=O)C1(CCCc2ccccn2)CN(Cc2coc(C)n2)C1
InChIInChI=1S/C18H24N4O2/c1-14-21-16(11-24-14)10-22-12-18(13-22,17(23)19-2)8-5-7-15-6-3-4-9-20-15/h3-4,6,9,11H,5,7-8,10,12-13H2,1-2H3,(H,19,23)
InChIKeyHUPWLMKWVQGCPS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds7

About N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide

N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide (PubChem CID 95827459) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide
PubChem CID95827459
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide
SMILESCNC(=O)C1(CCCc2ccccn2)CN(Cc2coc(C)n2)C1
InChIInChI=1S/C18H24N4O2/c1-14-21-16(11-24-14)10-22-12-18(13-22,17(23)19-2)8-5-7-15-6-3-4-9-20-15/h3-4,6,9,11H,5,7-8,10,12-13H2,1-2H3,(H,19,23)
InChIKeyHUPWLMKWVQGCPS-UHFFFAOYSA-N
XLogP1.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide (CID 95827459) is N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide is CNC(=O)C1(CCCc2ccccn2)CN(Cc2coc(C)n2)C1.
What is the InChIKey of N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide?
The InChIKey is HUPWLMKWVQGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-21-16(11-24-14)10-22-12-18(13-22,17(23)19-2)8-5-7-15-6-3-4-9-20-15/h3-4,6,9,11H,5,7-8,10,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide?
N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide is sourced from PubChem (CID 95827459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).