N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide

C26H35N5O2 — CID 166670400

IUPACN-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCCCN1CCN(c2ncc(C(=O)NC(CC=C(C)C)Cc3c[nH]c4ccccc34)o2)CC1
InChIInChI=1S/C26H35N5O2/c1-4-11-30-12-14-31(15-13-30)26-28-18-24(33-26)25(32)29-21(10-9-19(2)3)16-20-17-27-23-8-6-5-7-22(20)23/h5-9,17-18,21,27H,4,10-16H2,1-3H3,(H,29,32)
InChIKeyLDAYAJBVASUSHQ-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.39
Rot. Bonds9

About N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide

N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 166670400) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
PubChem CID166670400
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
SMILESCCCN1CCN(c2ncc(C(=O)NC(CC=C(C)C)Cc3c[nH]c4ccccc34)o2)CC1
InChIInChI=1S/C26H35N5O2/c1-4-11-30-12-14-31(15-13-30)26-28-18-24(33-26)25(32)29-21(10-9-19(2)3)16-20-17-27-23-8-6-5-7-22(20)23/h5-9,17-18,21,27H,4,10-16H2,1-3H3,(H,29,32)
InChIKeyLDAYAJBVASUSHQ-UHFFFAOYSA-N
XLogP4.39
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-propylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one
CID 157230108
1-[2-(4-ethylpiperazin-1-yl)-1,3-oxazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one
CID 157464633
5-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 126536774
3-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537316
3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-propylpiperazin-1-yl)-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[3-(4-propylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]heptan-1-one
CID 157230105
3-(1H-indol-3-ylmethyl)-1-[5-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-propylpiperazin-1-yl)-1,3-oxazol-5-yl]hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]hexan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-(4-propylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]hexan-1-one
CID 158667669
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpyrazol-3-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 135279677
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 126509183
[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
CID 145241325
2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 126509667
5-(4-ethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3,4-thiadiazole-2-carboxamide;N-[1-(1H-indol-3-yl)hexan-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-oxazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-yl]heptan-1-one
CID 159538877
N-[1-(1H-indol-3-yl)hexan-2-yl]-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 118286090

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide (CID 166670400) is N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide is CCCN1CCN(c2ncc(C(=O)NC(CC=C(C)C)Cc3c[nH]c4ccccc34)o2)CC1.
What is the InChIKey of N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is LDAYAJBVASUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-11-30-12-14-31(15-13-30)26-28-18-24(33-26)25(32)29-21(10-9-19(2)3)16-20-17-27-23-8-6-5-7-22(20)23/h5-9,17-18,21,27H,4,10-16H2,1-3H3,(H,29,32).
What are the key properties of N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide?
N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166670400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).