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

C18H18N4O4S — CID 86994732

IUPACmethyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)NCc2coc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-25-18(24)22-13-6-4-12(5-7-13)9-19-17(23)20-10-14-11-26-16(21-14)15-3-2-8-27-15/h2-8,11H,9-10H2,1H3,(H,22,24)(H2,19,20,23)
InChIKeyDLYSBHZEOXMKIW-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.58
Rot. Bonds6

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

methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate (PubChem CID 86994732) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
PubChem CID86994732
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Namemethyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)NCc2coc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-25-18(24)22-13-6-4-12(5-7-13)9-19-17(23)20-10-14-11-26-16(21-14)15-3-2-8-27-15/h2-8,11H,9-10H2,1H3,(H,22,24)(H2,19,20,23)
InChIKeyDLYSBHZEOXMKIW-UHFFFAOYSA-N
XLogP3.58
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate with MolForge

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Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea
CID 91641569
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]furan-2-carboxamide
CID 29320925
3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 30338040
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
CID 40876316
1-(2-methoxyethyl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940049

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate (CID 86994732) is methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)NCc2coc(-c3cccs3)n2)cc1.
What is the InChIKey of methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate?
The InChIKey is DLYSBHZEOXMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-25-18(24)22-13-6-4-12(5-7-13)9-19-17(23)20-10-14-11-26-16(21-14)15-3-2-8-27-15/h2-8,11H,9-10H2,1H3,(H,22,24)(H2,19,20,23).
What are the key properties of methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate?
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate has a molecular weight of 386.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate is sourced from PubChem (CID 86994732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).