1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea

C15H19N5O2 — CID 94148320

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
SMILESO=C(NCc1nncn1-c1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C15H19N5O2/c21-15(16-9-13-7-4-8-22-13)17-10-14-19-18-11-20(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,16,17,21)/t13-/m1/s1
InChIKeyDUMJOJMDTOUJEU-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.25
Rot. Bonds5

About 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea

1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 94148320) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID94148320
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
SMILESO=C(NCc1nncn1-c1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C15H19N5O2/c21-15(16-9-13-7-4-8-22-13)17-10-14-19-18-11-20(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,16,17,21)/t13-/m1/s1
InChIKeyDUMJOJMDTOUJEU-CYBMUJFWSA-N
XLogP1.25
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-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

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95129786
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 129399614
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
CID 115393361
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
1-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92752236
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 18129224

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea (CID 94148320) is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea is O=C(NCc1nncn1-c1ccccc1)NC[C@H]1CCCO1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is DUMJOJMDTOUJEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(16-9-13-7-4-8-22-13)17-10-14-19-18-11-20(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,16,17,21)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 301.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 94148320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).