N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide

C18H21N5O2 — CID 97265785

IUPACN-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)Nc3n[nH]c([C@H]4CCCO4)n3)cc21
InChIInChI=1S/C18H21N5O2/c1-11(2)23-8-7-12-5-6-13(10-14(12)23)17(24)20-18-19-16(21-22-18)15-4-3-9-25-15/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,19,20,21,22,24)/t15-/m1/s1
InChIKeyBUXMHYMBYDPWTD-OAHLLOKOSA-N
MW339.40 g/mol
LogP3.44
Rot. Bonds4

About N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide

N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide (PubChem CID 97265785) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide
PubChem CID97265785
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)Nc3n[nH]c([C@H]4CCCO4)n3)cc21
InChIInChI=1S/C18H21N5O2/c1-11(2)23-8-7-12-5-6-13(10-14(12)23)17(24)20-18-19-16(21-22-18)15-4-3-9-25-15/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,19,20,21,22,24)/t15-/m1/s1
InChIKeyBUXMHYMBYDPWTD-OAHLLOKOSA-N
XLogP3.44
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide (CID 97265785) is N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide is CC(C)n1ccc2ccc(C(=O)Nc3n[nH]c([C@H]4CCCO4)n3)cc21.
What is the InChIKey of N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide?
The InChIKey is BUXMHYMBYDPWTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)23-8-7-12-5-6-13(10-14(12)23)17(24)20-18-19-16(21-22-18)15-4-3-9-25-15/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,19,20,21,22,24)/t15-/m1/s1.
What are the key properties of N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide?
N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 97265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).