1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea

C15H24N4O3 — CID 129474958

IUPAC1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
SMILESCOC[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)C1CC1
InChIInChI=1S/C15H24N4O3/c1-19-7-6-16-14(19)13-11(5-8-22-13)17-15(20)18-12(9-21-2)10-3-4-10/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,20)/t11-,12+,13-/m0/s1
InChIKeyKAHYJUMOZPOKGZ-XQQFMLRXSA-N
MW308.38 g/mol
LogP0.97
Rot. Bonds6

About 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea

1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea (PubChem CID 129474958) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
PubChem CID129474958
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
SMILESCOC[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)C1CC1
InChIInChI=1S/C15H24N4O3/c1-19-7-6-16-14(19)13-11(5-8-22-13)17-15(20)18-12(9-21-2)10-3-4-10/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,20)/t11-,12+,13-/m0/s1
InChIKeyKAHYJUMOZPOKGZ-XQQFMLRXSA-N
XLogP0.97
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129475001
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
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
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
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
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203
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
cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129330273
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-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea (CID 129474958) is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea is COC[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
The InChIKey is KAHYJUMOZPOKGZ-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-19-7-6-16-14(19)13-11(5-8-22-13)17-15(20)18-12(9-21-2)10-3-4-10/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,20)/t11-,12+,13-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea?
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea has a molecular weight of 308.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea is sourced from PubChem (CID 129474958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).