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

C15H25N3O2 — CID 71881577

IUPAC1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCC2CCCCCCC2)on1
InChIInChI=1S/C15H25N3O2/c1-12-9-14(20-18-12)11-17-15(19)16-10-13-7-5-3-2-4-6-8-13/h9,13H,2-8,10-11H2,1H3,(H2,16,17,19)
InChIKeyFPCDPXDRWMVYGE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.14
Rot. Bonds4

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

1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 71881577) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID71881577
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)NCC2CCCCCCC2)on1
InChIInChI=1S/C15H25N3O2/c1-12-9-14(20-18-12)11-17-15(19)16-10-13-7-5-3-2-4-6-8-13/h9,13H,2-8,10-11H2,1H3,(H2,16,17,19)
InChIKeyFPCDPXDRWMVYGE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
CID 56817049
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49120592
1-[(3-hydroxycyclohexyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111506323
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 71881577) is 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is Cc1cc(CNC(=O)NCC2CCCCCCC2)on1.
What is the InChIKey of 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is FPCDPXDRWMVYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-9-14(20-18-12)11-17-15(19)16-10-13-7-5-3-2-4-6-8-13/h9,13H,2-8,10-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 279.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 71881577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).