1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea

C30H49N3O2 — CID 10624692

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea
SMILESCCCCCCCCCCCCCCc1cc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)on1
InChIInChI=1S/C30H49N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-28(35-33-25)31-30(34)32-29-26(23(2)3)20-18-21-27(29)24(4)5/h18,20-24H,6-17,19H2,1-5H3,(H2,31,32,34)
InChIKeyZVIOWPKJZALWHK-UHFFFAOYSA-N
MW483.74 g/mol
LogP9.81
Rot. Bonds17

About 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea (PubChem CID 10624692) has the molecular formula C30H49N3O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea
PubChem CID10624692
Molecular FormulaC30H49N3O2
Molecular Weight483.74 g/mol
Exact Mass483.38
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea
SMILESCCCCCCCCCCCCCCc1cc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)on1
InChIInChI=1S/C30H49N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-28(35-33-25)31-30(34)32-29-26(23(2)3)20-18-21-27(29)24(4)5/h18,20-24H,6-17,19H2,1-5H3,(H2,31,32,34)
InChIKeyZVIOWPKJZALWHK-UHFFFAOYSA-N
XLogP9.81
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 7693891
N-[2,6-bis(1-methylethyl)phenyl]-N'-(3-dodecyl-5-isoxazolyl)urea
CID 10004175
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 10720988
1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-isoxazol-3-yl)-urea
CID 10742963
1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-5-yl)-urea
CID 10838072
1-(3-Decyl-isoxazol-5-yl)-3-(2,6-diisopropyl-phenyl)-urea
CID 11796760
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-nitrobenzamide
CID 16013530
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-N'-phenylurea
CID 2738194

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea (CID 10624692) is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea is CCCCCCCCCCCCCCc1cc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)on1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea?
The InChIKey is ZVIOWPKJZALWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-28(35-33-25)31-30(34)32-29-26(23(2)3)20-18-21-27(29)24(4)5/h18,20-24H,6-17,19H2,1-5H3,(H2,31,32,34).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea has a molecular weight of 483.74 g/mol, XLogP of 9.81, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tetradecyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 10624692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).