N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide

C25H27N5O3 — CID 56566221

IUPACN,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3ccc4c(ccn4CC(=O)N(C)C)c3)co2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-4-6-18(7-5-17)24-27-21(16-33-24)10-12-26-25(32)28-20-8-9-22-19(14-20)11-13-30(22)15-23(31)29(2)3/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H2,26,28,32)
InChIKeyKFYAPRJBOGXZLR-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.06
Rot. Bonds7

About N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide

N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide (PubChem CID 56566221) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
PubChem CID56566221
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3ccc4c(ccn4CC(=O)N(C)C)c3)co2)cc1
InChIInChI=1S/C25H27N5O3/c1-17-4-6-18(7-5-17)24-27-21(16-33-24)10-12-26-25(32)28-20-8-9-22-19(14-20)11-13-30(22)15-23(31)29(2)3/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H2,26,28,32)
InChIKeyKFYAPRJBOGXZLR-UHFFFAOYSA-N
XLogP4.06
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 86896091
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 111455113
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519569
ethyl N-[3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylamino]-3-oxopropyl]carbamate
CID 51105748
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557318
1-(2-hydroxy-4-methylpentyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923046
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide (CID 56566221) is N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide is Cc1ccc(-c2nc(CCNC(=O)Nc3ccc4c(ccn4CC(=O)N(C)C)c3)co2)cc1.
What is the InChIKey of N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide?
The InChIKey is KFYAPRJBOGXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-4-6-18(7-5-17)24-27-21(16-33-24)10-12-26-25(32)28-20-8-9-22-19(14-20)11-13-30(22)15-23(31)29(2)3/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H2,26,28,32).
What are the key properties of N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide?
N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 56566221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).