1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea

C16H20FN3O3 — CID 72939283

IUPAC1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(CC(C)C)on2)ccc1F
InChIInChI=1S/C16H20FN3O3/c1-10(2)6-13-7-12(20-23-13)9-18-16(21)19-11-4-5-14(17)15(8-11)22-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,18,19,21)
InChIKeyLPDCVMKIPJYVKT-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.34
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea

1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea (PubChem CID 72939283) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
PubChem CID72939283
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(CC(C)C)on2)ccc1F
InChIInChI=1S/C16H20FN3O3/c1-10(2)6-13-7-12(20-23-13)9-18-16(21)19-11-4-5-14(17)15(8-11)22-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,18,19,21)
InChIKeyLPDCVMKIPJYVKT-UHFFFAOYSA-N
XLogP3.34
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 74236971
1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 97251637
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
CID 118785711
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
4-[[5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-3-yl]methylamino]-N-hydroxy-1,1-dioxothiane-4-carboxamide
CID 86272498
(2R)-2-amino-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
CID 56864135
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea (CID 72939283) is 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea is COc1cc(NC(=O)NCc2cc(CC(C)C)on2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is LPDCVMKIPJYVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-10(2)6-13-7-12(20-23-13)9-18-16(21)19-11-4-5-14(17)15(8-11)22-3/h4-5,7-8,10H,6,9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 321.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 72939283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).