1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea

C14H17N3O3 — CID 18101657

IUPAC1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
SMILESCc1cc(NC(=O)N(C)CCOc2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-11-10-13(16-20-11)15-14(18)17(2)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyGCOMKPYZWXGZAU-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.53
Rot. Bonds5

About 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea

1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea (PubChem CID 18101657) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
PubChem CID18101657
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
SMILESCc1cc(NC(=O)N(C)CCOc2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-11-10-13(16-20-11)15-14(18)17(2)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyGCOMKPYZWXGZAU-UHFFFAOYSA-N
XLogP2.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799350
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259409
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenoxyethylsulfanyl)-2-phenylacetamide
CID 51926728
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea (CID 18101657) is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea is Cc1cc(NC(=O)N(C)CCOc2ccccc2)no1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea?
The InChIKey is GCOMKPYZWXGZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11-10-13(16-20-11)15-14(18)17(2)8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea?
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 18101657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).