[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

C20H18N6O2 — CID 21007916

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H18N6O2/c27-20(15-5-7-16(8-6-15)26-13-21-23-24-26)25-11-9-14(10-12-25)19-22-17-3-1-2-4-18(17)28-19/h1-8,13-14H,9-12H2
InChIKeyLOIODSDCSFOCHW-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.82
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 21007916) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID21007916
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H18N6O2/c27-20(15-5-7-16(8-6-15)26-13-21-23-24-26)25-11-9-14(10-12-25)19-22-17-3-1-2-4-18(17)28-19/h1-8,13-14H,9-12H2
InChIKeyLOIODSDCSFOCHW-UHFFFAOYSA-N
XLogP2.82
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 24503509
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49192438
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 31187279
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 9120508
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide
CID 32758925
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 55499891

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone (CID 21007916) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cnnn2)cc1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is LOIODSDCSFOCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-20(15-5-7-16(8-6-15)26-13-21-23-24-26)25-11-9-14(10-12-25)19-22-17-3-1-2-4-18(17)28-19/h1-8,13-14H,9-12H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 374.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 21007916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).