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

C18H25N5O2 — CID 122299713

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)18-19-10-15(11-20-18)21-17(24)5-4-16-13(2)22-25-14(16)3/h10-12H,4-9H2,1-3H3,(H,21,24)
InChIKeySPOZLYRWQOZGBA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.89
Rot. Bonds5

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 122299713) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
PubChem CID122299713
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)18-19-10-15(11-20-18)21-17(24)5-4-16-13(2)22-25-14(16)3/h10-12H,4-9H2,1-3H3,(H,21,24)
InChIKeySPOZLYRWQOZGBA-UHFFFAOYSA-N
XLogP2.89
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
CID 46959010
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61221265
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 86987980
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122299799
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide (CID 122299713) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide is Cc1noc(C)c1CCC(=O)Nc1cnc(N2CCC(C)CC2)nc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is SPOZLYRWQOZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-6-8-23(9-7-12)18-19-10-15(11-20-18)21-17(24)5-4-16-13(2)22-25-14(16)3/h10-12H,4-9H2,1-3H3,(H,21,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.89, 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-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 122299713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).