1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea

C27H33N5O5 — CID 146729675

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(CC(=O)c3cc(OCCN4CCOCC4)ccn3)cc2)no1
InChIInChI=1S/C27H33N5O5/c1-27(2,3)24-18-25(31-37-24)30-26(34)29-20-6-4-19(5-7-20)16-23(33)22-17-21(8-9-28-22)36-15-12-32-10-13-35-14-11-32/h4-9,17-18H,10-16H2,1-3H3,(H2,29,30,31,34)
InChIKeyRHEJWYSUDUBYQJ-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.15
Rot. Bonds9

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea (PubChem CID 146729675) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
PubChem CID146729675
Molecular FormulaC27H33N5O5
Molecular Weight507.59 g/mol
Exact Mass507.25
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(CC(=O)c3cc(OCCN4CCOCC4)ccn3)cc2)no1
InChIInChI=1S/C27H33N5O5/c1-27(2,3)24-18-25(31-37-24)30-26(34)29-20-6-4-19(5-7-20)16-23(33)22-17-21(8-9-28-22)36-15-12-32-10-13-35-14-11-32/h4-9,17-18H,10-16H2,1-3H3,(H2,29,30,31,34)
InChIKeyRHEJWYSUDUBYQJ-UHFFFAOYSA-N
XLogP4.15
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]ethynyl]phenyl]urea
CID 118669368
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzoxazol-2-yl]phenyl]urea
CID 161058555
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 25235536
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;ethane
CID 144997954
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]ethynyl]phenyl]urea
CID 118669372
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]urea
CID 51029973
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]urea
CID 118665886
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760981
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-oxo-2-[6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridazin-3-yl]ethyl]phenyl]urea
CID 147036581
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[2-iodo-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethynyl]phenyl]urea
CID 139417936
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[(Z)-3-methanimidoyl-4-[4-(3-morpholin-4-ylpropoxy)-1H-pyrrol-2-yl]but-3-en-1-ynyl]phenyl]urea;ethane
CID 144998041
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760630

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea (CID 146729675) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(CC(=O)c3cc(OCCN4CCOCC4)ccn3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea?
The InChIKey is RHEJWYSUDUBYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-27(2,3)24-18-25(31-37-24)30-26(34)29-20-6-4-19(5-7-20)16-23(33)22-17-21(8-9-28-22)36-15-12-32-10-13-35-14-11-32/h4-9,17-18H,10-16H2,1-3H3,(H2,29,30,31,34).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea has a molecular weight of 507.59 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 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-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea is sourced from PubChem (CID 146729675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).