1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

C17H26N6O3 — CID 126454901

IUPAC1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1ccc([C@@H](CNC(=O)N(C)Cc2nncn2C)N2CCOCC2)o1
InChIInChI=1S/C17H26N6O3/c1-13-4-5-15(26-13)14(23-6-8-25-9-7-23)10-18-17(24)21(2)11-16-20-19-12-22(16)3/h4-5,12,14H,6-11H2,1-3H3,(H,18,24)/t14-/m1/s1
InChIKeyWVROKBLOWGLZBL-CQSZACIVSA-N
MW362.43 g/mol
LogP0.93
Rot. Bonds6

About 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 126454901) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID126454901
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCc1ccc([C@@H](CNC(=O)N(C)Cc2nncn2C)N2CCOCC2)o1
InChIInChI=1S/C17H26N6O3/c1-13-4-5-15(26-13)14(23-6-8-25-9-7-23)10-18-17(24)21(2)11-16-20-19-12-22(16)3/h4-5,12,14H,6-11H2,1-3H3,(H,18,24)/t14-/m1/s1
InChIKeyWVROKBLOWGLZBL-CQSZACIVSA-N
XLogP0.93
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea 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-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 87002905
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30544005
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrazol-1-ylacetamide
CID 94177106
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125170167
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 126454901) is 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is Cc1ccc([C@@H](CNC(=O)N(C)Cc2nncn2C)N2CCOCC2)o1.
What is the InChIKey of 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is WVROKBLOWGLZBL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-13-4-5-15(26-13)14(23-6-8-25-9-7-23)10-18-17(24)21(2)11-16-20-19-12-22(16)3/h4-5,12,14H,6-11H2,1-3H3,(H,18,24)/t14-/m1/s1.
What are the key properties of 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 362.43 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 126454901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).