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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Related Compounds

3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
CID 155173763
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762897
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
CID 67396206
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397

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).