3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide

C17H24N4O3 — CID 46993283

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cc(CC(C)C)no2)c(=O)n1
InChIInChI=1S/C17H24N4O3/c1-11(2)7-14-9-15(24-20-14)10-18-16(22)5-6-21-13(4)8-12(3)19-17(21)23/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)
InChIKeyRIYSJWKPJGCZSB-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.75
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide (PubChem CID 46993283) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
PubChem CID46993283
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2cc(CC(C)C)no2)c(=O)n1
InChIInChI=1S/C17H24N4O3/c1-11(2)7-14-9-15(24-20-14)10-18-16(22)5-6-21-13(4)8-12(3)19-17(21)23/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)
InChIKeyRIYSJWKPJGCZSB-UHFFFAOYSA-N
XLogP1.75
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 95047083
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
CID 91789465
4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 50959013
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46992621
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
CID 131927508
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711394
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]propanamide
CID 46996262
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
CID 119072623
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99947725

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide (CID 46993283) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide is Cc1cc(C)n(CCC(=O)NCc2cc(CC(C)C)no2)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
The InChIKey is RIYSJWKPJGCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)7-14-9-15(24-20-14)10-18-16(22)5-6-21-13(4)8-12(3)19-17(21)23/h8-9,11H,5-7,10H2,1-4H3,(H,18,22).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide is sourced from PubChem (CID 46993283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).