1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol

C22H34N4O2 — CID 123923564

IUPAC1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol
SMILESCCC1CC2CCC(CC(O)Nc3cnn(Cc4c(C)noc4C)c3)C(C1)C2
InChIInChI=1S/C22H34N4O2/c1-4-16-7-17-5-6-18(19(8-16)9-17)10-22(27)24-20-11-23-26(12-20)13-21-14(2)25-28-15(21)3/h11-12,16-19,22,24,27H,4-10,13H2,1-3H3
InChIKeyYRRZSISIZIWSGB-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.51
Rot. Bonds7

About 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol

1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol (PubChem CID 123923564) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol.

Molecular Properties

Compound Name1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol
PubChem CID123923564
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol
SMILESCCC1CC2CCC(CC(O)Nc3cnn(Cc4c(C)noc4C)c3)C(C1)C2
InChIInChI=1S/C22H34N4O2/c1-4-16-7-17-5-6-18(19(8-16)9-17)10-22(27)24-20-11-23-26(12-20)13-21-14(2)25-28-15(21)3/h11-12,16-19,22,24,27H,4-10,13H2,1-3H3
InChIKeyYRRZSISIZIWSGB-UHFFFAOYSA-N
XLogP4.51
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol 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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine
CID 147589152
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-sulfanylidene-1,3-thiazolidine-4-carboxamide
CID 4645676
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 70646299
1-(2,3-dihydro-1H-inden-2-yl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 4626703
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
CID 153203644
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 122240811
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-yn-1-amine
CID 122240825

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol?
The IUPAC name of 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol (CID 123923564) is 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol.
What is the SMILES notation for 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol?
The canonical SMILES for 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol is CCC1CC2CCC(CC(O)Nc3cnn(Cc4c(C)noc4C)c3)C(C1)C2.
What is the InChIKey of 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol?
The InChIKey is YRRZSISIZIWSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-16-7-17-5-6-18(19(8-16)9-17)10-22(27)24-20-11-23-26(12-20)13-21-14(2)25-28-15(21)3/h11-12,16-19,22,24,27H,4-10,13H2,1-3H3.
What are the key properties of 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol?
1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol has a molecular weight of 386.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-(7-ethyl-2-bicyclo[3.3.1]nonanyl)ethanol is sourced from PubChem (CID 123923564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).