1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea

C15H25N3O2 — CID 97334233

IUPAC1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
SMILESCc1ocnc1CNC(=O)N[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)12-6-4-5-7-13(12)18-15(19)16-8-14-11(3)20-9-17-14/h9-10,12-13H,4-8H2,1-3H3,(H2,16,18,19)/t12-,13-/m0/s1
InChIKeyLEXDUYBNRPYJDN-STQMWFEESA-N
MW279.38 g/mol
LogP3.00
Rot. Bonds4

About 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea (PubChem CID 97334233) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
PubChem CID97334233
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea
SMILESCc1ocnc1CNC(=O)N[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)12-6-4-5-7-13(12)18-15(19)16-8-14-11(3)20-9-17-14/h9-10,12-13H,4-8H2,1-3H3,(H2,16,18,19)/t12-,13-/m0/s1
InChIKeyLEXDUYBNRPYJDN-STQMWFEESA-N
XLogP3.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea with MolForge

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Related Compounds

1-(3-azaspiro[5.5]undecan-11-yl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 154783301
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97158340
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130978196
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
1-(2,2-diphenylethyl)-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 84593941
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
3-(dimethylamino)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 127744055
2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815795
1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 110933364
5-methyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 103261996
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea (CID 97334233) is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea is Cc1ocnc1CNC(=O)N[C@H]1CCCC[C@H]1C(C)C.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea?
The InChIKey is LEXDUYBNRPYJDN-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)12-6-4-5-7-13(12)18-15(19)16-8-14-11(3)20-9-17-14/h9-10,12-13H,4-8H2,1-3H3,(H2,16,18,19)/t12-,13-/m0/s1.
What are the key properties of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea?
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea has a molecular weight of 279.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(1S,2S)-2-propan-2-ylcyclohexyl]urea is sourced from PubChem (CID 97334233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).