1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine

C16H21N3O — CID 143052390

IUPAC1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
SMILESC=C(Nc1ccc(C)cc1)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H21N3O/c1-11-6-8-13(9-7-11)17-12(2)18-15-10-14(20-19-15)16(3,4)5/h6-10,17H,2H2,1,3-5H3,(H,18,19)
InChIKeyKVXNMGPBQKZJCZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.28
Rot. Bonds4

About 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine

1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine (PubChem CID 143052390) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
PubChem CID143052390
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
SMILESC=C(Nc1ccc(C)cc1)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H21N3O/c1-11-6-8-13(9-7-11)17-12(2)18-15-10-14(20-19-15)16(3,4)5/h6-10,17H,2H2,1,3-5H3,(H,18,19)
InChIKeyKVXNMGPBQKZJCZ-UHFFFAOYSA-N
XLogP4.28
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]ethenyl]-1-N-(4-butylphenyl)benzene-1,4-diamine
CID 143052140
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
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CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 11210014
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-ethylphenyl)thiourea
CID 19687440
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CID 108812308
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
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine (CID 143052390) is 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine is C=C(Nc1ccc(C)cc1)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine?
The InChIKey is KVXNMGPBQKZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-8-13(9-7-11)17-12(2)18-15-10-14(20-19-15)16(3,4)5/h6-10,17H,2H2,1,3-5H3,(H,18,19).
What are the key properties of 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine?
1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine has a molecular weight of 271.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine is sourced from PubChem (CID 143052390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).