1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea

C16H21N5O2 — CID 129476958

IUPAC1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)nc1
InChIInChI=1S/C16H21N5O2/c1-11-3-4-15(18-8-11)20-16(22)19-12-5-6-23-14(7-12)13-9-17-10-21(13)2/h3-4,8-10,12,14H,5-7H2,1-2H3,(H2,18,19,20,22)/t12-,14-/m0/s1
InChIKeyIABQPUZLHWTFIH-JSGCOSHPSA-N
MW315.38 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea

1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 129476958) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID129476958
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)nc1
InChIInChI=1S/C16H21N5O2/c1-11-3-4-15(18-8-11)20-16(22)19-12-5-6-23-14(7-12)13-9-17-10-21(13)2/h3-4,8-10,12,14H,5-7H2,1-2H3,(H2,18,19,20,22)/t12-,14-/m0/s1
InChIKeyIABQPUZLHWTFIH-JSGCOSHPSA-N
XLogP2.17
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea with MolForge

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Related Compounds

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
1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
CID 129472543
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
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]quinoxaline-5-carboxamide
CID 129340184
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea (CID 129476958) is 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)nc1.
What is the InChIKey of 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is IABQPUZLHWTFIH-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-3-4-15(18-8-11)20-16(22)19-12-5-6-23-14(7-12)13-9-17-10-21(13)2/h3-4,8-10,12,14H,5-7H2,1-2H3,(H2,18,19,20,22)/t12-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea?
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 315.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 129476958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).