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

C16H22N4O2 — CID 110371871

IUPACN-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccnc2)nc1CC(=O)NCCCN(C)C
InChIInChI=1S/C16H22N4O2/c1-12-14(10-15(21)18-8-5-9-20(2)3)19-16(22-12)13-6-4-7-17-11-13/h4,6-7,11H,5,8-10H2,1-3H3,(H,18,21)
InChIKeyUYMMOLROLMJFTH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.66
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 110371871) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID110371871
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccnc2)nc1CC(=O)NCCCN(C)C
InChIInChI=1S/C16H22N4O2/c1-12-14(10-15(21)18-8-5-9-20(2)3)19-16(22-12)13-6-4-7-17-11-13/h4,6-7,11H,5,8-10H2,1-3H3,(H,18,21)
InChIKeyUYMMOLROLMJFTH-UHFFFAOYSA-N
XLogP1.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
N-[(4-fluorophenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371882
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371886
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(2-bromophenyl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371988
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-N-(1-phenylethyl)acetamide
CID 110371879
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95167723
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide (CID 110371871) is N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccnc2)nc1CC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is UYMMOLROLMJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-14(10-15(21)18-8-5-9-20(2)3)19-16(22-12)13-6-4-7-17-11-13/h4,6-7,11H,5,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 110371871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).