(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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Related Compounds

(2S)-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]-2-methylpropanoic acid
CID 167651898
3-amino-4-[5-[3-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 123667587
3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 123242604
(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 159115885
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide
CID 3177752
2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]pentanedinitrile
CID 17417341
2-amino-4-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 168853047
(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
CID 66516023
tert-butyl N-[(2S)-1-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]-3-hydroxypropan-2-yl]carbamate
CID 166021308
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511

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).