N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide

C24H23N5O3S — CID 164617913

IUPACN-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccc5ocnc5c4)cccc32)s1
InChIInChI=1S/C24H23N5O3S/c1-15(30)26-9-8-25-12-17-13-27-23(33-17)24(31)29-10-7-19-18(3-2-4-21(19)29)16-5-6-22-20(11-16)28-14-32-22/h2-6,11,13-14,25H,7-10,12H2,1H3,(H,26,30)
InChIKeyFFNUWSKEDYZMMO-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide

N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide (PubChem CID 164617913) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
PubChem CID164617913
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccc5ocnc5c4)cccc32)s1
InChIInChI=1S/C24H23N5O3S/c1-15(30)26-9-8-25-12-17-13-27-23(33-17)24(31)29-10-7-19-18(3-2-4-21(19)29)16-5-6-22-20(11-16)28-14-32-22/h2-6,11,13-14,25H,7-10,12H2,1H3,(H,26,30)
InChIKeyFFNUWSKEDYZMMO-UHFFFAOYSA-N
XLogP3.38
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide (CID 164617913) is N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccc5ocnc5c4)cccc32)s1.
What is the InChIKey of N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The InChIKey is FFNUWSKEDYZMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-15(30)26-9-8-25-12-17-13-27-23(33-17)24(31)29-10-7-19-18(3-2-4-21(19)29)16-5-6-22-20(11-16)28-14-32-22/h2-6,11,13-14,25H,7-10,12H2,1H3,(H,26,30).
What are the key properties of N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide has a molecular weight of 461.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(1,3-benzoxazol-5-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 164617913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).