1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol

C23H21N3O3 — CID 72711178

IUPAC1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol
SMILESOC(CNCc1nc2ccccc2o1)COc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C23H21N3O3/c27-15(12-24-13-23-26-20-7-3-4-8-22(20)29-23)14-28-16-9-10-18-17-5-1-2-6-19(17)25-21(18)11-16/h1-11,15,24-25,27H,12-14H2
InChIKeyHCTPSFOHJXDKTO-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.99
Rot. Bonds7

About 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol

1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol (PubChem CID 72711178) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol
PubChem CID72711178
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol
SMILESOC(CNCc1nc2ccccc2o1)COc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C23H21N3O3/c27-15(12-24-13-23-26-20-7-3-4-8-22(20)29-23)14-28-16-9-10-18-17-5-1-2-6-19(17)25-21(18)11-16/h1-11,15,24-25,27H,12-14H2
InChIKeyHCTPSFOHJXDKTO-UHFFFAOYSA-N
XLogP3.99
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol (CID 72711178) is 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol is OC(CNCc1nc2ccccc2o1)COc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol?
The InChIKey is HCTPSFOHJXDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-15(12-24-13-23-26-20-7-3-4-8-22(20)29-23)14-28-16-9-10-18-17-5-1-2-6-19(17)25-21(18)11-16/h1-11,15,24-25,27H,12-14H2.
What are the key properties of 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol?
1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol has a molecular weight of 387.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylmethylamino)-3-(9H-carbazol-2-yloxy)propan-2-ol is sourced from PubChem (CID 72711178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).