(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol

C16H16ClN5O2 — CID 166021352

IUPAC(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol
SMILESN[C@H](CO)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O2/c17-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-19-21-22(20-16)9-13(18)10-23/h1-8,13,23H,9-10,18H2/t13-/m0/s1
InChIKeyUOXFKDWQDLBHMC-ZDUSSCGKSA-N
MW345.79 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol

(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol (PubChem CID 166021352) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol
PubChem CID166021352
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol
SMILESN[C@H](CO)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O2/c17-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-19-21-22(20-16)9-13(18)10-23/h1-8,13,23H,9-10,18H2/t13-/m0/s1
InChIKeyUOXFKDWQDLBHMC-ZDUSSCGKSA-N
XLogP2.11
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol (CID 166021352) is (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol is N[C@H](CO)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol?
The InChIKey is UOXFKDWQDLBHMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-19-21-22(20-16)9-13(18)10-23/h1-8,13,23H,9-10,18H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol?
(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol has a molecular weight of 345.79 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 166021352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).