1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea

C16H21N3O3 — CID 111463122

IUPAC1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
SMILESCC(CO)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)14-8-17-15(22-14)12-4-6-13(7-5-12)19-16(21)18-11(3)9-20/h4-8,10-11,20H,9H2,1-3H3,(H2,18,19,21)
InChIKeyPQYQGFFINJLASH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.97
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea

1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 111463122) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID111463122
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
SMILESCC(CO)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)14-8-17-15(22-14)12-4-6-13(7-5-12)19-16(21)18-11(3)9-20/h4-8,10-11,20H,9H2,1-3H3,(H2,18,19,21)
InChIKeyPQYQGFFINJLASH-UHFFFAOYSA-N
XLogP2.97
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933057
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 100691281
2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide
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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 100671914
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 86963534
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111617573
1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 11736822
1-(4-butan-2-ylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 11149383
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86963602
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 86964206

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea (CID 111463122) is 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea is CC(CO)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is PQYQGFFINJLASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)14-8-17-15(22-14)12-4-6-13(7-5-12)19-16(21)18-11(3)9-20/h4-8,10-11,20H,9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea?
1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 303.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 111463122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).