1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea

C15H17N3O3 — CID 165119935

IUPAC1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
SMILESCOc1cccc(-c2cnc(CNC(=O)NC3CC3)o2)c1
InChIInChI=1S/C15H17N3O3/c1-20-12-4-2-3-10(7-12)13-8-16-14(21-13)9-17-15(19)18-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19)
InChIKeyQXKFZRDJJTUPFX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea

1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea (PubChem CID 165119935) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
PubChem CID165119935
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
SMILESCOc1cccc(-c2cnc(CNC(=O)NC3CC3)o2)c1
InChIInChI=1S/C15H17N3O3/c1-20-12-4-2-3-10(7-12)13-8-16-14(21-13)9-17-15(19)18-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19)
InChIKeyQXKFZRDJJTUPFX-UHFFFAOYSA-N
XLogP2.31
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133245079
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 22350567
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 133245082
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111630637

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea (CID 165119935) is 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea is COc1cccc(-c2cnc(CNC(=O)NC3CC3)o2)c1.
What is the InChIKey of 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea?
The InChIKey is QXKFZRDJJTUPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-12-4-2-3-10(7-12)13-8-16-14(21-13)9-17-15(19)18-11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea?
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea has a molecular weight of 287.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea is sourced from PubChem (CID 165119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).