methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate

C16H12Cl2N2O4 — CID 18932382

IUPACmethyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C16H12Cl2N2O4/c1-22-16(21)19-10-2-4-11(5-3-10)23-8-14-20-13-7-9(17)6-12(18)15(13)24-14/h2-7H,8H2,1H3,(H,19,21)
InChIKeyFICRGBKPFUFSRJ-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.89
Rot. Bonds4

About methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate

methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate (PubChem CID 18932382) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
PubChem CID18932382
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Namemethyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C16H12Cl2N2O4/c1-22-16(21)19-10-2-4-11(5-3-10)23-8-14-20-13-7-9(17)6-12(18)15(13)24-14/h2-7H,8H2,1H3,(H,19,21)
InChIKeyFICRGBKPFUFSRJ-UHFFFAOYSA-N
XLogP4.89
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-(methoxycarbonylamino)phenoxy]methyl]-1,3-benzoxazole-6-carboxylate
CID 18932089
2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858701
N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858068
methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
CID 60522785
1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methylbutanamide
CID 54859557
N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 54859926
N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-propoxybenzamide
CID 54859634
methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308576
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate (CID 18932382) is methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2nc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate?
The InChIKey is FICRGBKPFUFSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c1-22-16(21)19-10-2-4-11(5-3-10)23-8-14-20-13-7-9(17)6-12(18)15(13)24-14/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate?
methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate has a molecular weight of 367.19 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 18932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).