phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate

C22H22N2O4 — CID 71907384

IUPACphenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCc2noc3c2CCCC3)cc1
InChIInChI=1S/C22H22N2O4/c1-24(22(25)27-18-7-3-2-4-8-18)16-11-13-17(14-12-16)26-15-20-19-9-5-6-10-21(19)28-23-20/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKeyXOVISKFEHHWUAR-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.77
Rot. Bonds5

About phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate

phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate (PubChem CID 71907384) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
PubChem CID71907384
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namephenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCc2noc3c2CCCC3)cc1
InChIInChI=1S/C22H22N2O4/c1-24(22(25)27-18-7-3-2-4-8-18)16-11-13-17(14-12-16)26-15-20-19-9-5-6-10-21(19)28-23-20/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKeyXOVISKFEHHWUAR-UHFFFAOYSA-N
XLogP4.77
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
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CID 5079103
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
CID 60522595
phenyl N-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-N-methylcarbamate
CID 154880998
N,2,2-trimethyl-N-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]propanamide
CID 112827996
3-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 71986351
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 97405941
2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid
CID 82400503
[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
CID 91520177
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate?
The IUPAC name of phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate (CID 71907384) is phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate is CN(C(=O)Oc1ccccc1)c1ccc(OCc2noc3c2CCCC3)cc1.
What is the InChIKey of phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate?
The InChIKey is XOVISKFEHHWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24(22(25)27-18-7-3-2-4-8-18)16-11-13-17(14-12-16)26-15-20-19-9-5-6-10-21(19)28-23-20/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3.
What are the key properties of phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate?
phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethoxy)phenyl]carbamate is sourced from PubChem (CID 71907384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).