1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C15H17F2N3O3 — CID 167962154

IUPAC1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)NC1CCCCCC1(F)F
InChIInChI=1S/C15H17F2N3O3/c16-15(17)7-3-1-2-4-12(15)20-13(21)18-9-5-6-10-11(8-9)23-14(22)19-10/h5-6,8,12H,1-4,7H2,(H,19,22)(H2,18,20,21)
InChIKeyRXEXGFCUXSLWDC-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.21
Rot. Bonds2

About 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 167962154) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID167962154
Molecular FormulaC15H17F2N3O3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)NC1CCCCCC1(F)F
InChIInChI=1S/C15H17F2N3O3/c16-15(17)7-3-1-2-4-12(15)20-13(21)18-9-5-6-10-11(8-9)23-14(22)19-10/h5-6,8,12H,1-4,7H2,(H,19,22)(H2,18,20,21)
InChIKeyRXEXGFCUXSLWDC-UHFFFAOYSA-N
XLogP3.21
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
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CID 110608202
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide
CID 115181430
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 118771328
1-(2-bromophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 50796687
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 167962154) is 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is O=C(Nc1ccc2[nH]c(=O)oc2c1)NC1CCCCCC1(F)F.
What is the InChIKey of 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is RXEXGFCUXSLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c16-15(17)7-3-1-2-4-12(15)20-13(21)18-9-5-6-10-11(8-9)23-14(22)19-10/h5-6,8,12H,1-4,7H2,(H,19,22)(H2,18,20,21).
What are the key properties of 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 325.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocycloheptyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 167962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).