methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate

C18H15ClN2O4 — CID 60522785

IUPACmethyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O4/c1-23-18(22)21-14-5-7-16(8-6-14)24-10-15-11-25-17(20-15)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyRPXPQIPIWSHESG-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.75
Rot. Bonds5

About methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate

methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate (PubChem CID 60522785) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
PubChem CID60522785
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Namemethyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O4/c1-23-18(22)21-14-5-7-16(8-6-14)24-10-15-11-25-17(20-15)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyRPXPQIPIWSHESG-UHFFFAOYSA-N
XLogP4.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
CID 18932382
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
methyl 4-[2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]tetrazol-5-yl]benzoate
CID 71873560
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
methyl N-(3-chlorophenyl)carbamate
CID 16529
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2-[methoxycarbonyl-[[3-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 46888968
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate (CID 60522785) is methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate?
The InChIKey is RPXPQIPIWSHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-18(22)21-14-5-7-16(8-6-14)24-10-15-11-25-17(20-15)12-3-2-4-13(19)9-12/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate?
methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate has a molecular weight of 358.78 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate is sourced from PubChem (CID 60522785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).