1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea

C22H26N3O3P — CID 143052329

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(OCCc3ccc(P)cc3)cc2)no1
InChIInChI=1S/C22H26N3O3P/c1-22(2,3)19-14-20(25-28-19)24-21(26)23-16-6-8-17(9-7-16)27-13-12-15-4-10-18(29)11-5-15/h4-11,14H,12-13,29H2,1-3H3,(H2,23,24,25,26)
InChIKeyUQNCSGZXWDPQHY-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.74
Rot. Bonds6

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea (PubChem CID 143052329) has the molecular formula C22H26N3O3P and a molecular weight of 411.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
PubChem CID143052329
Molecular FormulaC22H26N3O3P
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(OCCc3ccc(P)cc3)cc2)no1
InChIInChI=1S/C22H26N3O3P/c1-22(2,3)19-14-20(25-28-19)24-21(26)23-16-6-8-17(9-7-16)27-13-12-15-4-10-18(29)11-5-15/h4-11,14H,12-13,29H2,1-3H3,(H2,23,24,25,26)
InChIKeyUQNCSGZXWDPQHY-UHFFFAOYSA-N
XLogP4.74
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]urea
CID 59380958
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[(4Z)-7-methyl-3-methylideneocta-4,6-dienoxy]phenyl]urea
CID 143051889
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 59420631
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[(6-ethoxy-3-pyridinyl)oxy]phenyl]urea
CID 58990223
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-prop-1-ynylphenyl)urea
CID 118669274
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea (CID 143052329) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCc3ccc(P)cc3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea?
The InChIKey is UQNCSGZXWDPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N3O3P/c1-22(2,3)19-14-20(25-28-19)24-21(26)23-16-6-8-17(9-7-16)27-13-12-15-4-10-18(29)11-5-15/h4-11,14H,12-13,29H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea has a molecular weight of 411.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(4-phosphanylphenyl)ethoxy]phenyl]urea is sourced from PubChem (CID 143052329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).