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

C15H19N3O3 — CID 79231131

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1noc(C)c1CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H19N3O3/c1-9-14(11(3)21-18-9)8-16-15(20)17-13-6-4-12(5-7-13)10(2)19/h4-7,10,19H,8H2,1-3H3,(H2,16,17,20)
InChIKeyWBDPTVZGLGVFIL-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.67
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 79231131) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID79231131
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1noc(C)c1CNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H19N3O3/c1-9-14(11(3)21-18-9)8-16-15(20)17-13-6-4-12(5-7-13)10(2)19/h4-7,10,19H,8H2,1-3H3,(H2,16,17,20)
InChIKeyWBDPTVZGLGVFIL-UHFFFAOYSA-N
XLogP2.67
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
CID 95615935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35337246
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
CID 79238382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
CID 97314301
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 47935438
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 86986255
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea (CID 79231131) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea is Cc1noc(C)c1CNC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is WBDPTVZGLGVFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-14(11(3)21-18-9)8-16-15(20)17-13-6-4-12(5-7-13)10(2)19/h4-7,10,19H,8H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 289.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 79231131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).