[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

C18H20N6O2 — CID 167971504

IUPAC[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCc1nccc(N2CCN(C(=O)C3CC(c4cccnc4)=NO3)CC2)n1
InChIInChI=1S/C18H20N6O2/c1-13-20-6-4-17(21-13)23-7-9-24(10-8-23)18(25)16-11-15(22-26-16)14-3-2-5-19-12-14/h2-6,12,16H,7-11H2,1H3
InChIKeySOXUJDSQPMINNS-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.02
Rot. Bonds3

About [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 167971504) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID167971504
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCc1nccc(N2CCN(C(=O)C3CC(c4cccnc4)=NO3)CC2)n1
InChIInChI=1S/C18H20N6O2/c1-13-20-6-4-17(21-13)23-7-9-24(10-8-23)18(25)16-11-15(22-26-16)14-3-2-5-19-12-14/h2-6,12,16H,7-11H2,1H3
InChIKeySOXUJDSQPMINNS-UHFFFAOYSA-N
XLogP1.02
TPSA83.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 129367099
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584835
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 18510754
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 94808896
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 167971504) is [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is Cc1nccc(N2CCN(C(=O)C3CC(c4cccnc4)=NO3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is SOXUJDSQPMINNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-20-6-4-17(21-13)23-7-9-24(10-8-23)18(25)16-11-15(22-26-16)14-3-2-5-19-12-14/h2-6,12,16H,7-11H2,1H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 167971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).