1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea

C25H23FN4O4 — CID 130472639

IUPAC1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
SMILESCC(NC(N)=O)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1F
InChIInChI=1S/C25H23FN4O4/c1-14(29-25(27)31)19-8-9-20-23(22(19)26)34-24(30-20)16-7-10-21(28-12-16)33-18-4-2-3-17(11-18)32-13-15-5-6-15/h2-4,7-12,14-15H,5-6,13H2,1H3,(H3,27,29,31)
InChIKeyOVXJBSOSPLEVTK-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.34
Rot. Bonds8

About 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea

1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea (PubChem CID 130472639) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea.

Molecular Properties

Compound Name1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
PubChem CID130472639
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
SMILESCC(NC(N)=O)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1F
InChIInChI=1S/C25H23FN4O4/c1-14(29-25(27)31)19-8-9-20-23(22(19)26)34-24(30-20)16-7-10-21(28-12-16)33-18-4-2-3-17(11-18)32-13-15-5-6-15/h2-4,7-12,14-15H,5-6,13H2,1H3,(H3,27,29,31)
InChIKeyOVXJBSOSPLEVTK-UHFFFAOYSA-N
XLogP5.34
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472862
N-[1-[2-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-5-fluoro-3-pyridinyl]oxy]propan-2-yl]urea
CID 67778683
1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
CID 134226822
N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 90354113
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
5-(1-azidoethyl)-2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 130472794
tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853256
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709
[(2S)-1-[[2-[4-(cyclopropylmethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]carbamic acid
CID 90355040
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea?
The IUPAC name of 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea (CID 130472639) is 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea.
What is the SMILES notation for 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea?
The canonical SMILES for 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea is CC(NC(N)=O)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)nc3)oc2c1F.
What is the InChIKey of 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea?
The InChIKey is OVXJBSOSPLEVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-14(29-25(27)31)19-8-9-20-23(22(19)26)34-24(30-20)16-7-10-21(28-12-16)33-18-4-2-3-17(11-18)32-13-15-5-6-15/h2-4,7-12,14-15H,5-6,13H2,1H3,(H3,27,29,31).
What are the key properties of 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea?
1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea has a molecular weight of 462.48 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea is sourced from PubChem (CID 130472639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).