2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea

C21H23N3O4 — CID 69144370

IUPAC2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(C)Oc1ccc(Oc2ccc(-c3cc(CCNC(N)=O)on3)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(2)26-16-7-9-18(10-8-16)27-17-5-3-15(4-6-17)20-13-19(28-24-20)11-12-23-21(22)25/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,25)
InChIKeyUHNPNVUDIYWOAW-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.13
Rot. Bonds8

About 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea

2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea (PubChem CID 69144370) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea.

Molecular Properties

Compound Name2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea
PubChem CID69144370
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea
SMILESCC(C)Oc1ccc(Oc2ccc(-c3cc(CCNC(N)=O)on3)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-14(2)26-16-7-9-18(10-8-16)27-17-5-3-15(4-6-17)20-13-19(28-24-20)11-12-23-21(22)25/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,25)
InChIKeyUHNPNVUDIYWOAW-UHFFFAOYSA-N
XLogP4.13
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea?
The IUPAC name of 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea (CID 69144370) is 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea.
What is the SMILES notation for 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea?
The canonical SMILES for 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea is CC(C)Oc1ccc(Oc2ccc(-c3cc(CCNC(N)=O)on3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea?
The InChIKey is UHNPNVUDIYWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(2)26-16-7-9-18(10-8-16)27-17-5-3-15(4-6-17)20-13-19(28-24-20)11-12-23-21(22)25/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,25).
What are the key properties of 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea?
2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea has a molecular weight of 381.43 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2-oxazol-5-yl]ethylurea is sourced from PubChem (CID 69144370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).