3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol

C21H17N5O2 — CID 155814933

IUPAC3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol
SMILESCCNc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)o1
InChIInChI=1S/C21H17N5O2/c1-2-22-21-26-25-20(28-21)17-11-15-14-8-3-4-9-16(14)23-19(15)18(24-17)12-6-5-7-13(27)10-12/h3-11,23,27H,2H2,1H3,(H,22,26)
InChIKeyOJUVJWIAWRJTEN-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.57
Rot. Bonds4

About 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol

3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol (PubChem CID 155814933) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol.

Molecular Properties

Compound Name3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol
PubChem CID155814933
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol
SMILESCCNc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)o1
InChIInChI=1S/C21H17N5O2/c1-2-22-21-26-25-20(28-21)17-11-15-14-8-3-4-9-16(14)23-19(15)18(24-17)12-6-5-7-13(27)10-12/h3-11,23,27H,2H2,1H3,(H,22,26)
InChIKeyOJUVJWIAWRJTEN-UHFFFAOYSA-N
XLogP4.57
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol?
The IUPAC name of 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol (CID 155814933) is 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol.
What is the SMILES notation for 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol?
The canonical SMILES for 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol is CCNc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)o1.
What is the InChIKey of 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol?
The InChIKey is OJUVJWIAWRJTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-2-22-21-26-25-20(28-21)17-11-15-14-8-3-4-9-16(14)23-19(15)18(24-17)12-6-5-7-13(27)10-12/h3-11,23,27H,2H2,1H3,(H,22,26).
What are the key properties of 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol?
3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol has a molecular weight of 371.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-9H-pyrido[3,4-b]indol-1-yl]phenol is sourced from PubChem (CID 155814933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).