6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one

C18H19ClN2O4 — CID 9241011

IUPAC6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-20(10-12-4-6-14(23-2)9-16(12)24-3)11-21-15-7-5-13(19)8-17(15)25-18(21)22/h4-9H,10-11H2,1-3H3
InChIKeyUCTTZJJQRDBHKO-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.35
Rot. Bonds6

About 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one

6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one (PubChem CID 9241011) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
PubChem CID9241011
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-20(10-12-4-6-14(23-2)9-16(12)24-3)11-21-15-7-5-13(19)8-17(15)25-18(21)22/h4-9H,10-11H2,1-3H3
InChIKeyUCTTZJJQRDBHKO-UHFFFAOYSA-N
XLogP3.35
TPSA56.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 24505361
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9318404
N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide
CID 17425687
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
CID 8005781
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 47521064
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 17443923
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetonitrile
CID 8986046

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one (CID 9241011) is 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one is COc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is UCTTZJJQRDBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-20(10-12-4-6-14(23-2)9-16(12)24-3)11-21-15-7-5-13(19)8-17(15)25-18(21)22/h4-9H,10-11H2,1-3H3.
What are the key properties of 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 362.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 9241011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).