1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C21H26N6O2 — CID 110129247

IUPAC1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)CCn3ccnc3)CC2)n1
InChIInChI=1S/C21H26N6O2/c1-14-21(15(2)29-25-14)19-12-18(23-16(3)24-19)17-4-9-27(10-5-17)20(28)6-8-26-11-7-22-13-26/h7,11-13,17H,4-6,8-10H2,1-3H3
InChIKeyHNLNASDKHOQHSA-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 110129247) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID110129247
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)CCn3ccnc3)CC2)n1
InChIInChI=1S/C21H26N6O2/c1-14-21(15(2)29-25-14)19-12-18(23-16(3)24-19)17-4-9-27(10-5-17)20(28)6-8-26-11-7-22-13-26/h7,11-13,17H,4-6,8-10H2,1-3H3
InChIKeyHNLNASDKHOQHSA-UHFFFAOYSA-N
XLogP3.05
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
CID 110132773
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110129332
1-[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124952346
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110129273
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110129249
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90493170
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
(4aS,9aS)-7-(3-imidazol-1-ylpropanoyl)-4-methyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127038
3,5-dimethyl-4-[2-methyl-6-[1-[(4S)-oxepan-4-yl]piperidin-4-yl]pyrimidin-4-yl]-1,2-oxazole
CID 125017551
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 110129247) is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)CCn3ccnc3)CC2)n1.
What is the InChIKey of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is HNLNASDKHOQHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-21(15(2)29-25-14)19-12-18(23-16(3)24-19)17-4-9-27(10-5-17)20(28)6-8-26-11-7-22-13-26/h7,11-13,17H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 394.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 110129247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).