1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea

C15H27N5O2 — CID 129475001

IUPAC1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
SMILESC[C@H](CCN(C)C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C15H27N5O2/c1-11(5-8-19(2)3)17-15(21)18-12-6-10-22-13(12)14-16-7-9-20(14)4/h7,9,11-13H,5-6,8,10H2,1-4H3,(H2,17,18,21)/t11-,12+,13+/m1/s1
InChIKeyKFAYIQIOLIANAV-AGIUHOORSA-N
MW309.41 g/mol
LogP0.89
Rot. Bonds6

About 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea

1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea (PubChem CID 129475001) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
PubChem CID129475001
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
SMILESC[C@H](CCN(C)C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C
InChIInChI=1S/C15H27N5O2/c1-11(5-8-19(2)3)17-15(21)18-12-6-10-22-13(12)14-16-7-9-20(14)4/h7,9,11-13H,5-6,8,10H2,1-4H3,(H2,17,18,21)/t11-,12+,13+/m1/s1
InChIKeyKFAYIQIOLIANAV-AGIUHOORSA-N
XLogP0.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]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-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129474958
1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
CID 128988869
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzodioxole-4-carboxamide
CID 128974107
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 128986161
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea (CID 129475001) is 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea is C[C@H](CCN(C)C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C.
What is the InChIKey of 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The InChIKey is KFAYIQIOLIANAV-AGIUHOORSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(5-8-19(2)3)17-15(21)18-12-6-10-22-13(12)14-16-7-9-20(14)4/h7,9,11-13H,5-6,8,10H2,1-4H3,(H2,17,18,21)/t11-,12+,13+/m1/s1.
What are the key properties of 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea has a molecular weight of 309.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea is sourced from PubChem (CID 129475001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).