2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole

C19H23N5O2 — CID 126788904

IUPAC2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
SMILESCOc1cc(N2CCN(CCCc3nc4ccccc4o3)CC2)ncn1
InChIInChI=1S/C19H23N5O2/c1-25-19-13-17(20-14-21-19)24-11-9-23(10-12-24)8-4-7-18-22-15-5-2-3-6-16(15)26-18/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLPIJPXJYWNHFJR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.38
Rot. Bonds6

About 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole

2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole (PubChem CID 126788904) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
PubChem CID126788904
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
SMILESCOc1cc(N2CCN(CCCc3nc4ccccc4o3)CC2)ncn1
InChIInChI=1S/C19H23N5O2/c1-25-19-13-17(20-14-21-19)24-11-9-23(10-12-24)8-4-7-18-22-15-5-2-3-6-16(15)26-18/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLPIJPXJYWNHFJR-UHFFFAOYSA-N
XLogP2.38
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 90644065
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
2-[3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126779619
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978173
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole (CID 126788904) is 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole is COc1cc(N2CCN(CCCc3nc4ccccc4o3)CC2)ncn1.
What is the InChIKey of 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The InChIKey is LPIJPXJYWNHFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-25-19-13-17(20-14-21-19)24-11-9-23(10-12-24)8-4-7-18-22-15-5-2-3-6-16(15)26-18/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole?
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole has a molecular weight of 353.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole is sourced from PubChem (CID 126788904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).