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

C21H24N4O3 — CID 59381112

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)18-13-19(25-28-18)24-20(26)23-16-7-5-14(6-8-16)22-15-9-11-17(27-4)12-10-15/h5-13,22H,1-4H3,(H2,23,24,25,26)
InChIKeyDZRCPUVAEYURIB-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.37
Rot. Bonds5

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea (PubChem CID 59381112) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
PubChem CID59381112
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-21(2,3)18-13-19(25-28-18)24-20(26)23-16-7-5-14(6-8-16)22-15-9-11-17(27-4)12-10-15/h5-13,22H,1-4H3,(H2,23,24,25,26)
InChIKeyDZRCPUVAEYURIB-UHFFFAOYSA-N
XLogP5.37
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
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
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
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
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-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 11210014
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea
CID 59381113
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 11237916
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea
CID 170560018

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea (CID 59381112) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea is COc1ccc(Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea?
The InChIKey is DZRCPUVAEYURIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,3)18-13-19(25-28-18)24-20(26)23-16-7-5-14(6-8-16)22-15-9-11-17(27-4)12-10-15/h5-13,22H,1-4H3,(H2,23,24,25,26).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea is sourced from PubChem (CID 59381112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).