3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide

C18H25N5O2 — CID 175656733

IUPAC3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
SMILESCc1noc(C)c1-c1cc(CC2CCN(CCC(N)=O)CC2)ncn1
InChIInChI=1S/C18H25N5O2/c1-12-18(13(2)25-22-12)16-10-15(20-11-21-16)9-14-3-6-23(7-4-14)8-5-17(19)24/h10-11,14H,3-9H2,1-2H3,(H2,19,24)
InChIKeyHHQORUOVEULBHF-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds6

About 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide

3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide (PubChem CID 175656733) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
PubChem CID175656733
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
SMILESCc1noc(C)c1-c1cc(CC2CCN(CCC(N)=O)CC2)ncn1
InChIInChI=1S/C18H25N5O2/c1-12-18(13(2)25-22-12)16-10-15(20-11-21-16)9-14-3-6-23(7-4-14)8-5-17(19)24/h10-11,14H,3-9H2,1-2H3,(H2,19,24)
InChIKeyHHQORUOVEULBHF-UHFFFAOYSA-N
XLogP1.88
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide
CID 110129167
2-amino-1-[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124990596
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 110129472
4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129353
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124941515
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129263
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129286
[(4R)-4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-pyridazin-3-ylmethanone
CID 125004119
(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125008882
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-pyrimidin-4-ylmethanone
CID 110135483

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide (CID 175656733) is 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide is Cc1noc(C)c1-c1cc(CC2CCN(CCC(N)=O)CC2)ncn1.
What is the InChIKey of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide?
The InChIKey is HHQORUOVEULBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-18(13(2)25-22-12)16-10-15(20-11-21-16)9-14-3-6-23(7-4-14)8-5-17(19)24/h10-11,14H,3-9H2,1-2H3,(H2,19,24).
What are the key properties of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide?
3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 175656733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).