(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H21N5O3 — CID 122332324

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)nc(C)n1
InChIInChI=1S/C17H21N5O3/c1-11-18-15(10-16(19-11)24-2)21-5-7-22(8-6-21)17(23)13-9-14(25-20-13)12-3-4-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGOXQXGRWPFAWHF-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.62
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122332324) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122332324
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)nc(C)n1
InChIInChI=1S/C17H21N5O3/c1-11-18-15(10-16(19-11)24-2)21-5-7-22(8-6-21)17(23)13-9-14(25-20-13)12-3-4-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGOXQXGRWPFAWHF-UHFFFAOYSA-N
XLogP1.62
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333056
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333800
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344801
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
(5-methyl-1,2-oxazol-3-yl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332554
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161436

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122332324) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1cc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)nc(C)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GOXQXGRWPFAWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-18-15(10-16(19-11)24-2)21-5-7-22(8-6-21)17(23)13-9-14(25-20-13)12-3-4-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122332324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).