1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea

C15H20N4O2S — CID 129472543

IUPAC1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
SMILESCn1cncc1[C@H]1C[C@H](NC(=O)NCc2ccsc2)CCO1
InChIInChI=1S/C15H20N4O2S/c1-19-10-16-8-13(19)14-6-12(2-4-21-14)18-15(20)17-7-11-3-5-22-9-11/h3,5,8-10,12,14H,2,4,6-7H2,1H3,(H2,17,18,20)/t12-,14-/m1/s1
InChIKeyLMDZKWCEYCKUOJ-TZMCWYRMSA-N
MW320.42 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea

1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 129472543) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
PubChem CID129472543
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
SMILESCn1cncc1[C@H]1C[C@H](NC(=O)NCc2ccsc2)CCO1
InChIInChI=1S/C15H20N4O2S/c1-19-10-16-8-13(19)14-6-12(2-4-21-14)18-15(20)17-7-11-3-5-22-9-11/h3,5,8-10,12,14H,2,4,6-7H2,1H3,(H2,17,18,20)/t12-,14-/m1/s1
InChIKeyLMDZKWCEYCKUOJ-TZMCWYRMSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
1-[2-(cyclopenten-1-yl)ethyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129476576
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea (CID 129472543) is 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea is Cn1cncc1[C@H]1C[C@H](NC(=O)NCc2ccsc2)CCO1.
What is the InChIKey of 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is LMDZKWCEYCKUOJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19-10-16-8-13(19)14-6-12(2-4-21-14)18-15(20)17-7-11-3-5-22-9-11/h3,5,8-10,12,14H,2,4,6-7H2,1H3,(H2,17,18,20)/t12-,14-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea?
1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 320.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 129472543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).