1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea

C15H17F2N3O3 — CID 97222978

IUPAC1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea
SMILESC[C@H](CCCO)NC(=O)Nc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C15H17F2N3O3/c1-9(3-2-6-21)18-15(22)19-14-8-13(23-20-14)11-5-4-10(16)7-12(11)17/h4-5,7-9,21H,2-3,6H2,1H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyPAGGSWDVAJKXLV-SECBINFHSA-N
MW325.32 g/mol
LogP2.90
Rot. Bonds6

About 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea

1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea (PubChem CID 97222978) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea
PubChem CID97222978
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea
SMILESC[C@H](CCCO)NC(=O)Nc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C15H17F2N3O3/c1-9(3-2-6-21)18-15(22)19-14-8-13(23-20-14)11-5-4-10(16)7-12(11)17/h4-5,7-9,21H,2-3,6H2,1H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyPAGGSWDVAJKXLV-SECBINFHSA-N
XLogP2.90
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78998254
1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
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1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
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1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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CID 62198977
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea (CID 97222978) is 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea is C[C@H](CCCO)NC(=O)Nc1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The InChIKey is PAGGSWDVAJKXLV-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-9(3-2-6-21)18-15(22)19-14-8-13(23-20-14)11-5-4-10(16)7-12(11)17/h4-5,7-9,21H,2-3,6H2,1H3,(H2,18,19,20,22)/t9-/m1/s1.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea has a molecular weight of 325.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea is sourced from PubChem (CID 97222978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).