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

C17H19N5O3 — CID 11210014

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCc1noc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-10-18-15(25-21-10)11-5-7-12(8-6-11)19-16(23)20-14-9-13(24-22-14)17(2,3)4/h5-9H,1-4H3,(H2,19,20,22,23)
InChIKeyJFDZJAJMWVCZDW-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.97
Rot. Bonds3

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea (PubChem CID 11210014) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
PubChem CID11210014
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
SMILESCc1noc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C17H19N5O3/c1-10-18-15(25-21-10)11-5-7-12(8-6-11)19-16(23)20-14-9-13(24-22-14)17(2,3)4/h5-9H,1-4H3,(H2,19,20,22,23)
InChIKeyJFDZJAJMWVCZDW-UHFFFAOYSA-N
XLogP3.97
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea with MolForge

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
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
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-methoxyanilino)phenyl]urea
CID 59381112
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea (CID 11210014) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea is Cc1noc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
The InChIKey is JFDZJAJMWVCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-18-15(25-21-10)11-5-7-12(8-6-11)19-16(23)20-14-9-13(24-22-14)17(2,3)4/h5-9H,1-4H3,(H2,19,20,22,23).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea is sourced from PubChem (CID 11210014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).