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

C16H21N3O3 — CID 111335717

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCc1nc(CNC(=O)NCC(C)(O)c2ccccc2)oc1C
InChIInChI=1S/C16H21N3O3/c1-11-12(2)22-14(19-11)9-17-15(20)18-10-16(3,21)13-7-5-4-6-8-13/h4-8,21H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyVDQWGSOQBSNYCI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.00
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335717) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335717
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCc1nc(CNC(=O)NCC(C)(O)c2ccccc2)oc1C
InChIInChI=1S/C16H21N3O3/c1-11-12(2)22-14(19-11)9-17-15(20)18-10-16(3,21)13-7-5-4-6-8-13/h4-8,21H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyVDQWGSOQBSNYCI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224446
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4S)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224444
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
CID 47360072
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335717) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea is Cc1nc(CNC(=O)NCC(C)(O)c2ccccc2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is VDQWGSOQBSNYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-12(2)22-14(19-11)9-17-15(20)18-10-16(3,21)13-7-5-4-6-8-13/h4-8,21H,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).