1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

C17H23N3O3 — CID 111424928

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NC(CO)CC(C)C)c2)o1
InChIInChI=1S/C17H23N3O3/c1-11(2)7-15(10-21)20-17(22)19-14-6-4-5-13(8-14)16-18-9-12(3)23-16/h4-6,8-9,11,15,21H,7,10H2,1-3H3,(H2,19,20,22)
InChIKeyBWFHZWPEYRMUCX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.18
Rot. Bonds6

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 111424928) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID111424928
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NC(CO)CC(C)C)c2)o1
InChIInChI=1S/C17H23N3O3/c1-11(2)7-15(10-21)20-17(22)19-14-6-4-5-13(8-14)16-18-9-12(3)23-16/h4-6,8-9,11,15,21H,7,10H2,1-3H3,(H2,19,20,22)
InChIKeyBWFHZWPEYRMUCX-UHFFFAOYSA-N
XLogP3.18
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea with MolForge

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Related Compounds

1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(5-methyl-1,3-oxazol-2-yl)urea
CID 95786606
1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
CID 86817334
3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
CID 115885071
1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71992244
tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
CID 56784550
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71870299
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 111424928) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is Cc1cnc(-c2cccc(NC(=O)NC(CO)CC(C)C)c2)o1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is BWFHZWPEYRMUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)7-15(10-21)20-17(22)19-14-6-4-5-13(8-14)16-18-9-12(3)23-16/h4-6,8-9,11,15,21H,7,10H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 317.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 111424928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).