N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide

C23H17N3O3 — CID 112528171

IUPACN-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H17N3O3/c27-22(26-23-25-18-8-4-5-9-21(18)29-23)20-12-16-10-11-17(13-19(16)24-20)28-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,25,26,27)
InChIKeyMDATXGNDZSABRC-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.14
Rot. Bonds5

About N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide

N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 112528171) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID112528171
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H17N3O3/c27-22(26-23-25-18-8-4-5-9-21(18)29-23)20-12-16-10-11-17(13-19(16)24-20)28-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,25,26,27)
InChIKeyMDATXGNDZSABRC-UHFFFAOYSA-N
XLogP5.14
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
N-(1H-benzimidazol-4-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112523091
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-ethoxy-1H-indole-2-carboxamide
CID 167872786
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide (CID 112528171) is N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide is O=C(Nc1nc2ccccc2o1)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is MDATXGNDZSABRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(26-23-25-18-8-4-5-9-21(18)29-23)20-12-16-10-11-17(13-19(16)24-20)28-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,25,26,27).
What are the key properties of N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide?
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 112528171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).