5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole

C19H22N4O — CID 99932937

IUPAC5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCC[C@H](Cn4ccnc4)C3)on2)cc1
InChIInChI=1S/C19H22N4O/c1-2-6-17(7-3-1)19-11-18(24-21-19)14-22-9-4-5-16(12-22)13-23-10-8-20-15-23/h1-3,6-8,10-11,15-16H,4-5,9,12-14H2/t16-/m0/s1
InChIKeySBGJFCNGRAHHMG-INIZCTEOSA-N
MW322.41 g/mol
LogP3.45
Rot. Bonds5

About 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole

5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole (PubChem CID 99932937) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
PubChem CID99932937
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCC[C@H](Cn4ccnc4)C3)on2)cc1
InChIInChI=1S/C19H22N4O/c1-2-6-17(7-3-1)19-11-18(24-21-19)14-22-9-4-5-16(12-22)13-23-10-8-20-15-23/h1-3,6-8,10-11,15-16H,4-5,9,12-14H2/t16-/m0/s1
InChIKeySBGJFCNGRAHHMG-INIZCTEOSA-N
XLogP3.45
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole (CID 99932937) is 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole is c1ccc(-c2cc(CN3CCC[C@H](Cn4ccnc4)C3)on2)cc1.
What is the InChIKey of 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The InChIKey is SBGJFCNGRAHHMG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-6-17(7-3-1)19-11-18(24-21-19)14-22-9-4-5-16(12-22)13-23-10-8-20-15-23/h1-3,6-8,10-11,15-16H,4-5,9,12-14H2/t16-/m0/s1.
What are the key properties of 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole has a molecular weight of 322.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 99932937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).