1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea

C15H19N3OS — CID 19686941

IUPAC1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
SMILESCCCCc1ccc(NC(=S)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-5-12-6-8-13(9-7-12)16-15(20)17-14-10-11(2)19-18-14/h6-10H,3-5H2,1-2H3,(H2,16,17,18,20)
InChIKeyRNUCYWLXURLTCR-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea

1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea (PubChem CID 19686941) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
PubChem CID19686941
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
SMILESCCCCc1ccc(NC(=S)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-5-12-6-8-13(9-7-12)16-15(20)17-14-10-11(2)19-18-14/h6-10H,3-5H2,1-2H3,(H2,16,17,18,20)
InChIKeyRNUCYWLXURLTCR-UHFFFAOYSA-N
XLogP4.13
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-butylphenyl)thiourea
CID 19687443
1-(4-butylphenyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 8017252
1-(4-butylphenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488849
(Z)-N-(4-butylphenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108828157
1-(4-butylphenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea
CID 8618159
2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
1-(4-butylphenyl)-3-(dimethylamino)thiourea
CID 8626030
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-ethylphenyl)thiourea
CID 19687440
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
1-(1,3-benzodioxol-5-yl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
CID 17265962
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-hexylphenyl)thiourea
CID 102145754
1-(4-butylphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)thiourea
CID 17283336

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea?
The IUPAC name of 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea (CID 19686941) is 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea?
The canonical SMILES for 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea is CCCCc1ccc(NC(=S)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea?
The InChIKey is RNUCYWLXURLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-5-12-6-8-13(9-7-12)16-15(20)17-14-10-11(2)19-18-14/h6-10H,3-5H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea?
1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea has a molecular weight of 289.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea is sourced from PubChem (CID 19686941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).