[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol

C22H31N5O2 — CID 145241325

IUPAC[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
SMILESCC(Cc1c[nH]c2ccccc12)NC(O)c1cnc(N2CCN(C(C)C)CC2)o1
InChIInChI=1S/C22H31N5O2/c1-15(2)26-8-10-27(11-9-26)22-24-14-20(29-22)21(28)25-16(3)12-17-13-23-19-7-5-4-6-18(17)19/h4-7,13-16,21,23,25,28H,8-12H2,1-3H3
InChIKeyPBPMRJYARZLGJZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.90
Rot. Bonds7

About [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol

[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol (PubChem CID 145241325) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
PubChem CID145241325
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
SMILESCC(Cc1c[nH]c2ccccc12)NC(O)c1cnc(N2CCN(C(C)C)CC2)o1
InChIInChI=1S/C22H31N5O2/c1-15(2)26-8-10-27(11-9-26)22-24-14-20(29-22)21(28)25-16(3)12-17-13-23-19-7-5-4-6-18(17)19/h4-7,13-16,21,23,25,28H,8-12H2,1-3H3
InChIKeyPBPMRJYARZLGJZ-UHFFFAOYSA-N
XLogP2.90
TPSA80.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
N-[1-(1H-indol-3-yl)-5-methylhex-4-en-2-yl]-2-(4-propylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
CID 166670400
1-[5-(4-tert-butylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-4-(1H-indol-3-yl)-3-methylbutan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]butan-1-one;4-(1H-indol-3-yl)-3-methyl-1-[3-(4-propan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]butan-1-one
CID 160688383
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 97232177
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
CID 15068996
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol?
The IUPAC name of [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol (CID 145241325) is [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol is CC(Cc1c[nH]c2ccccc12)NC(O)c1cnc(N2CCN(C(C)C)CC2)o1.
What is the InChIKey of [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol?
The InChIKey is PBPMRJYARZLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-15(2)26-8-10-27(11-9-26)22-24-14-20(29-22)21(28)25-16(3)12-17-13-23-19-7-5-4-6-18(17)19/h4-7,13-16,21,23,25,28H,8-12H2,1-3H3.
What are the key properties of [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol?
[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol has a molecular weight of 397.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 145241325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).