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

C16H22N4O3 — CID 118776570

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)NCc1nnc(C)o1
InChIInChI=1S/C16H22N4O3/c1-10-19-20-14(23-10)9-17-15(21)18-12-8-11(16(2,3)4)6-7-13(12)22-5/h6-8H,9H2,1-5H3,(H2,17,18,21)
InChIKeyYSIWQLSANAKUJJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.01
Rot. Bonds4

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

1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 118776570) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID118776570
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)NCc1nnc(C)o1
InChIInChI=1S/C16H22N4O3/c1-10-19-20-14(23-10)9-17-15(21)18-12-8-11(16(2,3)4)6-7-13(12)22-5/h6-8H,9H2,1-5H3,(H2,17,18,21)
InChIKeyYSIWQLSANAKUJJ-UHFFFAOYSA-N
XLogP3.01
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-(pyridin-4-ylmethyl)urea
CID 10380868
1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 125179633
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea
CID 74240670
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 17298469

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 118776570) is 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is COc1ccc(C(C)(C)C)cc1NC(=O)NCc1nnc(C)o1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is YSIWQLSANAKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-19-20-14(23-10)9-17-15(21)18-12-8-11(16(2,3)4)6-7-13(12)22-5/h6-8H,9H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 318.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 118776570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).