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

C18H25N5O2 — CID 124966656

IUPAC3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
SMILESCc1cc([C@@H]2CCCCN2CCC(N)=O)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-8-23(15)9-7-16(19)24)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9H2,1-3H3,(H2,19,24)/t15-/m0/s1
InChIKeyINICYXVMIMICHB-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds5

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

3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide (PubChem CID 124966656) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
PubChem CID124966656
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
SMILESCc1cc([C@@H]2CCCCN2CCC(N)=O)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-8-23(15)9-7-16(19)24)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9H2,1-3H3,(H2,19,24)/t15-/m0/s1
InChIKeyINICYXVMIMICHB-HNNXBMFYSA-N
XLogP2.46
TPSA98.14 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819
3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004818
3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129576
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124996936
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125022078
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480
3-amino-1-[(2S)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 124998909
3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
CID 175656733
[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110145880

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide (CID 124966656) is 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide is Cc1cc([C@@H]2CCCCN2CCC(N)=O)nc(-c2c(C)noc2C)n1.
What is the InChIKey of 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide?
The InChIKey is INICYXVMIMICHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-10-14(15-6-4-5-8-23(15)9-7-16(19)24)21-18(20-11)17-12(2)22-25-13(17)3/h10,15H,4-9H2,1-3H3,(H2,19,24)/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide?
3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 124966656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).