N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide

C19H22N4O2 — CID 51106001

IUPACN-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCc1cnn(CC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H22N4O2/c1-15-12-20-23(13-15)14-19(24)22(2)10-6-9-17-11-18(21-25-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3
InChIKeyDKEZYBXSDGUZJZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide

N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide (PubChem CID 51106001) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
PubChem CID51106001
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
SMILESCc1cnn(CC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H22N4O2/c1-15-12-20-23(13-15)14-19(24)22(2)10-6-9-17-11-18(21-25-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3
InChIKeyDKEZYBXSDGUZJZ-UHFFFAOYSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The IUPAC name of N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide (CID 51106001) is N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide is Cc1cnn(CC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
The InChIKey is DKEZYBXSDGUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-12-20-23(13-15)14-19(24)22(2)10-6-9-17-11-18(21-25-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide?
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide is sourced from PubChem (CID 51106001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).