(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol

C14H18ClN5O2 — CID 95575927

IUPAC(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O2/c15-12-3-1-2-11(8-12)14-16-18-20(17-14)10-13(21)9-19-4-6-22-7-5-19/h1-3,8,13,21H,4-7,9-10H2/t13-/m1/s1
InChIKeyCQRBQPGBDUANSR-CYBMUJFWSA-N
MW323.78 g/mol
LogP0.69
Rot. Bonds5

About (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 95575927) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID95575927
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O2/c15-12-3-1-2-11(8-12)14-16-18-20(17-14)10-13(21)9-19-4-6-22-7-5-19/h1-3,8,13,21H,4-7,9-10H2/t13-/m1/s1
InChIKeyCQRBQPGBDUANSR-CYBMUJFWSA-N
XLogP0.69
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol (CID 95575927) is (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol is O[C@H](CN1CCOCC1)Cn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CQRBQPGBDUANSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c15-12-3-1-2-11(8-12)14-16-18-20(17-14)10-13(21)9-19-4-6-22-7-5-19/h1-3,8,13,21H,4-7,9-10H2/t13-/m1/s1.
What are the key properties of (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 323.78 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(3-chlorophenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 95575927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).