1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea

C14H23N3O2 — CID 96834732

IUPAC1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccon2)C1
InChIInChI=1S/C14H23N3O2/c1-11-3-2-4-12(9-11)5-7-15-14(18)16-10-13-6-8-19-17-13/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,15,16,18)/t11-,12+/m1/s1
InChIKeyUQEGPVCSDURHET-NEPJUHHUSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 96834732) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID96834732
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccon2)C1
InChIInChI=1S/C14H23N3O2/c1-11-3-2-4-12(9-11)5-7-15-14(18)16-10-13-6-8-19-17-13/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,15,16,18)/t11-,12+/m1/s1
InChIKeyUQEGPVCSDURHET-NEPJUHHUSA-N
XLogP2.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 96834732) is 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea is C[C@@H]1CCC[C@@H](CCNC(=O)NCc2ccon2)C1.
What is the InChIKey of 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is UQEGPVCSDURHET-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-3-2-4-12(9-11)5-7-15-14(18)16-10-13-6-8-19-17-13/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,15,16,18)/t11-,12+/m1/s1.
What are the key properties of 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 96834732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).