3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide

C21H21N5O2 — CID 122285788

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C21H21N5O2/c1-13-18(15(3)28-25-13)8-9-19(27)23-17-7-4-6-16(12-17)20-14(2)26-11-5-10-22-21(26)24-20/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)
InChIKeyRHIOPQDKORWIRC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.88
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide (PubChem CID 122285788) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
PubChem CID122285788
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C21H21N5O2/c1-13-18(15(3)28-25-13)8-9-19(27)23-17-7-4-6-16(12-17)20-14(2)26-11-5-10-22-21(26)24-20/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)
InChIKeyRHIOPQDKORWIRC-UHFFFAOYSA-N
XLogP3.88
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 122285842
2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 121024155
2-(4-methoxyphenoxy)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 122285802
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080309
5-cyclopropyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122285841
(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
CID 121033249
4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080310
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 7080306

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide (CID 122285788) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1cccc(-c2nc3ncccn3c2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The InChIKey is RHIOPQDKORWIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-18(15(3)28-25-13)8-9-19(27)23-17-7-4-6-16(12-17)20-14(2)26-11-5-10-22-21(26)24-20/h4-7,10-12H,8-9H2,1-3H3,(H,23,27).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 122285788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).