5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

C17H21N5O2 — CID 154762657

IUPAC5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc2oc(N3CCN(Cc4cnn(C)c4)CC3)nc2c1
InChIInChI=1S/C17H21N5O2/c1-20-11-13(10-18-20)12-21-5-7-22(8-6-21)17-19-15-9-14(23-2)3-4-16(15)24-17/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyPQYVERAMUHJOOE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.89
Rot. Bonds4

About 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 154762657) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID154762657
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc2oc(N3CCN(Cc4cnn(C)c4)CC3)nc2c1
InChIInChI=1S/C17H21N5O2/c1-20-11-13(10-18-20)12-21-5-7-22(8-6-21)17-19-15-9-14(23-2)3-4-16(15)24-17/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyPQYVERAMUHJOOE-UHFFFAOYSA-N
XLogP1.89
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 50964782
2-amino-6-[4-(5-methoxy-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
CID 23014424
5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 171335686
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 127720538
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
2-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-5-methoxy-1,3-benzoxazole
CID 154743308
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 122143987
5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900128

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (CID 154762657) is 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is COc1ccc2oc(N3CCN(Cc4cnn(C)c4)CC3)nc2c1.
What is the InChIKey of 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is PQYVERAMUHJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20-11-13(10-18-20)12-21-5-7-22(8-6-21)17-19-15-9-14(23-2)3-4-16(15)24-17/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 327.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 154762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).