benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate

C18H17N3O5S — CID 22215162

IUPACbenzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O5S/c1-13-11-17(20-26-13)21-27(23,24)16-9-7-15(8-10-16)19-18(22)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJFLTTXPXNVGYDL-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.53
Rot. Bonds6

About benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate

benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate (PubChem CID 22215162) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
PubChem CID22215162
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Namebenzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O5S/c1-13-11-17(20-26-13)21-27(23,24)16-9-7-15(8-10-16)19-18(22)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJFLTTXPXNVGYDL-UHFFFAOYSA-N
XLogP3.53
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-naphthalen-2-ylacetamide
CID 53255376
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
CID 40583056
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylpropanamide
CID 1194511
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate (CID 22215162) is benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)no1.
What is the InChIKey of benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is JFLTTXPXNVGYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-13-11-17(20-26-13)21-27(23,24)16-9-7-15(8-10-16)19-18(22)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate?
benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 387.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 22215162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).