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

C16H24N4O3 — CID 95047083

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC[C@H]2CC(C(C)C)=NO2)c(=O)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)14-8-13(23-19-14)9-17-15(21)5-6-20-12(4)7-11(3)18-16(20)22/h7,10,13H,5-6,8-9H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyZEFYTGNZGGZUAX-CYBMUJFWSA-N
MW320.39 g/mol
LogP1.17
Rot. Bonds6

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

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide (PubChem CID 95047083) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
PubChem CID95047083
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1cc(C)n(CCC(=O)NC[C@H]2CC(C(C)C)=NO2)c(=O)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)14-8-13(23-19-14)9-17-15(21)5-6-20-12(4)7-11(3)18-16(20)22/h7,10,13H,5-6,8-9H2,1-4H3,(H,17,21)/t13-/m1/s1
InChIKeyZEFYTGNZGGZUAX-CYBMUJFWSA-N
XLogP1.17
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The IUPAC name of 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) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is Cc1cc(C)n(CCC(=O)NC[C@H]2CC(C(C)C)=NO2)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The InChIKey is ZEFYTGNZGGZUAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)14-8-13(23-19-14)9-17-15(21)5-6-20-12(4)7-11(3)18-16(20)22/h7,10,13H,5-6,8-9H2,1-4H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 1.17, 6 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-[[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is sourced from PubChem (CID 95047083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).