1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea

C12H19N3O2 — CID 110660494

IUPAC1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)NC2CCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-9-7-13-11(17-9)8-14-12(16)15-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15,16)
InChIKeyFCDABOUCUYFNTP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea

1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 110660494) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID110660494
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)NC2CCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-9-7-13-11(17-9)8-14-12(16)15-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15,16)
InChIKeyFCDABOUCUYFNTP-UHFFFAOYSA-N
XLogP2.11
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
CID 106375343
1-cyclopentyl-3-[(2-methyl-1,3-oxazol-4-yl)methyl]urea
CID 110747533

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (CID 110660494) is 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is Cc1cnc(CNC(=O)NC2CCCCC2)o1.
What is the InChIKey of 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is FCDABOUCUYFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-13-11(17-9)8-14-12(16)15-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 237.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 110660494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).